PubChemLite - Tridocosyl phosphate (C66H135O4P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C66H135O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-68-71(67,69-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)70-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-66H2,1-3H3

InChIKey

JXPSMEWTSLEXTL-UHFFFAOYSA-N

Compound name

tridocosyl phosphate

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]+	1024.0171	353.6
[M+Na]+	1045.9990	350.6
[M-H]-	1022.0025	323.4
[M+NH4]+	1041.0436	353.3
[M+K]+	1061.9730	364.7
[M+H-H2O]+	1006.0071	341.3
[M+HCOO]-	1068.0080	353.5
[M+CH3COO]-	1082.0237	345.8
[M+Na-2H]-	1043.9845	322.1
[M]+	1023.0093	354.6
[M]-	1023.0103	354.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1024.0171

353.6

[M+Na]+

1045.9990

350.6

[M-H]-

1022.0025

323.4

[M+NH4]+

1041.0436

353.3

[M+K]+

1061.9730

364.7

[M+H-H2O]+

1006.0071

341.3

[M+HCOO]-

1068.0080

353.5

[M+CH3COO]-

1082.0237

345.8

[M+Na-2H]-

1043.9845

322.1

[M]+

1023.0093

354.6

[M]-

1023.0103

354.6

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

Tridocosyl phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe