CID 82097

Dihexylphosphinic acid

Structural Information

Molecular Formula

C₁₂H₂₇O₂P

SMILES

CCCCCCP(=O)(CCCCCC)O

InChI

InChI=1S/C12H27O2P/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,14)

InChIKey

NGKCHGKFHQDOPZ-UHFFFAOYSA-N

Compound name

dihexylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 999
Patents: 234.17487 Da
Monoisotopic Mass: 3.6
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]+	235.18215	165.5
[M+Na]+	257.16409	170.1
[M-H]-	233.16759	162.2
[M+NH4]+	252.20869	183.6
[M+K]+	273.13803	167.8
[M+H-H2O]+	217.17213	158.2
[M+HCOO]-	279.17307	190.0
[M+CH3COO]-	293.18872	193.2
[M+Na-2H]-	255.14954	165.7
[M]+	234.17432	170.6
[M]-	234.17542	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe