2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-bis(2,4-bis(1-methyl-1-phenylethyl)phenoxy)- (C53H58O6P2)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OP3OCC4(CO3)COP(OC4)OC5=C(C=C(C=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7)C(C)(C)C8=CC=CC=C8

InChI

InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3

InChIKey

WBWXVCMXGYSMQA-UHFFFAOYSA-N

Compound name

3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	853.378126	302.9
[M+Na]+	875.360068	297.3
[M-H]-	851.363574	318.6
[M+NH4]+	870.404673	289.1
[M+K]+	891.334008	301.8
[M+H-H2O]+	835.368110	279.0
[M+HCOO]-	897.369051	309.6
[M+CH3COO]-	911.384701	301.5
[M+Na-2H]-	873.345516	295.8
[M]+	852.37030142	296.9
[M]-	852.37139858	296.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

853.378126

302.9

[M+Na]+

875.360068

297.3

[M-H]-

851.363574

318.6

[M+NH4]+

870.404673

289.1

[M+K]+

891.334008

301.8

[M+H-H2O]+

835.368110

279.0

[M+HCOO]-

897.369051

309.6

[M+CH3COO]-

911.384701

301.5

[M+Na-2H]-

873.345516

295.8

[M]+

852.37030142

296.9

[M]-

852.37139858

296.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-bis(2,4-bis(1-methyl-1-phenylethyl)phenoxy)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe