CID 19059

Hexadecyl dihydrogen phosphate

Structural Information

Molecular Formula

C₁₆H₃₅O₄P

SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)

InChIKey

ZUVCYFMOHFTGDM-UHFFFAOYSA-N

Compound name

hexadecyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 21592
Patents: 322.2273 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

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]+	323.23458	189.7
[M+Na]+	345.21652	191.9
[M-H]-	321.22002	184.0
[M+NH4]+	340.26112	203.3
[M+K]+	361.19046	188.7
[M+H-H2O]+	305.22456	181.2
[M+HCOO]-	367.22550	211.7
[M+CH3COO]-	381.24115	206.5
[M+Na-2H]-	343.20197	187.6
[M]+	322.22675	197.1
[M]-	322.22785	197.1

Literature stripe

literature stripe

Patent stripe

patents stripe