PubChemLite - Tritetracosyl phosphate (C72H147O4P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C72H147O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-74-77(73,75-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)76-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-72H2,1-3H3

InChIKey

IZUKFCFQFALNAF-UHFFFAOYSA-N

Compound name

tritetracosyl 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]+	1108.1111	369.5
[M+Na]+	1130.0930	365.6
[M-H]-	1106.0965	337.3
[M+NH4]+	1125.1376	369.4
[M+K]+	1146.0670	382.1
[M+H-H2O]+	1090.1011	356.9
[M+HCOO]-	1152.1020	367.5
[M+CH3COO]-	1166.1177	359.1
[M+Na-2H]-	1128.0785	336.3
[M]+	1107.1033	371.6
[M]-	1107.1043	371.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1108.1111

369.5

[M+Na]+

1130.0930

365.6

[M-H]-

1106.0965

337.3

[M+NH4]+

1125.1376

369.4

[M+K]+

1146.0670

382.1

[M+H-H2O]+

1090.1011

356.9

[M+HCOO]-

1152.1020

367.5

[M+CH3COO]-

1166.1177

359.1

[M+Na-2H]-

1128.0785

336.3

[M]+

1107.1033

371.6

[M]-

1107.1043

371.6

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

Tritetracosyl phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe