PubChemLite - Phenol, dodecyl-, phosphite (3:1) (C54H87O3P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCC1=CC=CC=C1OP(OC2=CC=CC=C2CCCCCCCCCCCC)OC3=CC=CC=C3CCCCCCCCCCCC

InChI

InChI=1S/C54H87O3P/c1-4-7-10-13-16-19-22-25-28-31-40-49-43-34-37-46-52(49)55-58(56-53-47-38-35-44-50(53)41-32-29-26-23-20-17-14-11-8-5-2)57-54-48-39-36-45-51(54)42-33-30-27-24-21-18-15-12-9-6-3/h34-39,43-48H,4-33,40-42H2,1-3H3

InChIKey

YTVCHUPHPBBSMD-UHFFFAOYSA-N

Compound name

tris(2-dodecylphenyl) 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]+	815.64658	330.0
[M+Na]+	837.62852	320.6
[M-H]-	813.63202	330.5
[M+NH4]+	832.67312	267.2
[M+K]+	853.60246	310.3
[M+H-H2O]+	797.63656	310.4
[M+HCOO]-	859.63750	284.3
[M+CH3COO]-	873.65315	307.6
[M+Na-2H]-	835.61397	311.2
[M]+	814.63875	343.9
[M]-	814.63985	343.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

815.64658

330.0

[M+Na]+

837.62852

320.6

[M-H]-

813.63202

330.5

[M+NH4]+

832.67312

267.2

[M+K]+

853.60246

310.3

[M+H-H2O]+

797.63656

310.4

[M+HCOO]-

859.63750

284.3

[M+CH3COO]-

873.65315

307.6

[M+Na-2H]-

835.61397

311.2

[M]+

814.63875

343.9

[M]-

814.63985

343.9

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

Phenol, dodecyl-, phosphite (3:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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