PubChemLite - 26741-53-7 (C33H50O6P2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=C(C=C1)OP2OCC3(CO2)COP(OC3)OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3

InChIKey

AIBRSVLEQRWAEG-UHFFFAOYSA-N

Compound name

3,9-bis(2,4-ditert-butylphenoxy)-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]+	605.31558	260.4
[M+Na]+	627.29752	261.2
[M-H]-	603.30102	270.1
[M+NH4]+	622.34212	260.9
[M+K]+	643.27146	265.8
[M+H-H2O]+	587.30556	246.3
[M+HCOO]-	649.30650	272.8
[M+CH3COO]-	663.32215	264.9
[M+Na-2H]-	625.28297	258.9
[M]+	604.30775	264.0
[M]-	604.30885	264.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.31558

260.4

[M+Na]+

627.29752

261.2

[M-H]-

603.30102

270.1

[M+NH4]+

622.34212

260.9

[M+K]+

643.27146

265.8

[M+H-H2O]+

587.30556

246.3

[M+HCOO]-

649.30650

272.8

[M+CH3COO]-

663.32215

264.9

[M+Na-2H]-

625.28297

258.9

[M]+

604.30775

264.0

[M]-

604.30885

264.0

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

26741-53-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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