CID 13783525

Hexadecylphosphonic acid

Structural Information

Molecular Formula

C₁₆H₃₅O₃P

SMILES

CCCCCCCCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C16H35O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H2,17,18,19)

InChIKey

JDPSFRXPDJVJMV-UHFFFAOYSA-N

Compound name

hexadecylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2281
Patents: 306.2324 Da
Monoisotopic Mass: 6.1
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]+	307.23968	187.5
[M+Na]+	329.22162	189.8
[M-H]-	305.22512	181.9
[M+NH4]+	324.26622	201.8
[M+K]+	345.19556	186.1
[M+H-H2O]+	289.22966	179.3
[M+HCOO]-	351.23060	209.3
[M+CH3COO]-	365.24625	204.6
[M+Na-2H]-	327.20707	185.2
[M]+	306.23185	193.5
[M]-	306.23295	193.5

Literature stripe

literature stripe

Patent stripe

patents stripe