PubChemLite - Trihexacosyl phosphate (C78H159O4P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C78H159O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-80-83(79,81-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)82-78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-78H2,1-3H3

InChIKey

JEBJVWJKUAKKRE-UHFFFAOYSA-N

Compound name

trihexacosyl 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]+	1192.2049	384.5
[M+Na]+	1214.1868	379.8
[M-H]-	1190.1903	350.3
[M+NH4]+	1209.2314	384.6
[M+K]+	1230.1608	398.6
[M+H-H2O]+	1174.1949	371.6
[M+HCOO]-	1236.1958	380.7
[M+CH3COO]-	1250.2115	371.7
[M+Na-2H]-	1212.1723	349.7
[M]+	1191.1971	387.9
[M]-	1191.1981	387.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1192.2049

384.5

[M+Na]+

1214.1868

379.8

[M-H]-

1190.1903

350.3

[M+NH4]+

1209.2314

384.6

[M+K]+

1230.1608

398.6

[M+H-H2O]+

1174.1949

371.6

[M+HCOO]-

1236.1958

380.7

[M+CH3COO]-

1250.2115

371.7

[M+Na-2H]-

1212.1723

349.7

[M]+

1191.1971

387.9

[M]-

1191.1981

387.9

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

Trihexacosyl phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe