PubChemLite - Phenol, 2,4-dinonyl-, phosphite (C72H123O3P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCCCCCCCC)CCCCCCCCC)OC3=C(C=C(C=C3)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC

InChI

InChI=1S/C72H123O3P/c1-7-13-19-25-31-37-43-49-64-55-58-70(67(61-64)52-46-40-34-28-22-16-10-4)73-76(74-71-59-56-65(50-44-38-32-26-20-14-8-2)62-68(71)53-47-41-35-29-23-17-11-5)75-72-60-57-66(51-45-39-33-27-21-15-9-3)63-69(72)54-48-42-36-30-24-18-12-6/h55-63H,7-54H2,1-6H3

InChIKey

QLPKPEZOUJMPQC-UHFFFAOYSA-N

Compound name

tris[2,4-di(nonyl)phenyl] phosphite

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]+	1067.9283	323.7
[M+Na]+	1089.9102	328.0
[M-H]-	1065.9137	297.2
[M+NH4]+	1084.9548	325.5
[M+K]+	1105.8842	334.2
[M+H-H2O]+	1049.9183	318.4
[M+HCOO]-	1111.9192	335.8
[M+CH3COO]-	1125.9349	355.0
[M+Na-2H]-	1087.8957	298.2
[M]+	1066.9205	323.6
[M]-	1066.9215	323.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1067.9283

323.7

[M+Na]+

1089.9102

328.0

[M-H]-

1065.9137

297.2

[M+NH4]+

1084.9548

325.5

[M+K]+

1105.8842

334.2

[M+H-H2O]+

1049.9183

318.4

[M+HCOO]-

1111.9192

335.8

[M+CH3COO]-

1125.9349

355.0

[M+Na-2H]-

1087.8957

298.2

[M]+

1066.9205

323.6

[M]-

1066.9215

323.6

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

Phenol, 2,4-dinonyl-, phosphite

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe