PubChemLite - Einecs 221-532-1 (C51H97O4P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H97O4P/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-54-56(53,45-46-43-47(50(3,4)5)49(52)48(44-46)51(6,7)8)55-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h43-44,52H,9-42,45H2,1-8H3

InChIKey

SAJFQHPVIYPPEY-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-(dioctadecoxyphosphorylmethyl)phenol

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]+	805.71974	283.9
[M+Na]+	827.70168	284.6
[M-H]-	803.70518	267.6
[M+NH4]+	822.74628	285.7
[M+K]+	843.67562	292.2
[M+H-H2O]+	787.70972	270.0
[M+HCOO]-	849.71066	295.9
[M+CH3COO]-	863.72631	306.9
[M+Na-2H]-	825.68713	260.8
[M]+	804.71191	285.7
[M]-	804.71301	285.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

805.71974

283.9

[M+Na]+

827.70168

284.6

[M-H]-

803.70518

267.6

[M+NH4]+

822.74628

285.7

[M+K]+

843.67562

292.2

[M+H-H2O]+

787.70972

270.0

[M+HCOO]-

849.71066

295.9

[M+CH3COO]-

863.72631

306.9

[M+Na-2H]-

825.68713

260.8

[M]+

804.71191

285.7

[M]-

804.71301

285.7

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

Einecs 221-532-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe