CID 97031

Dibutylphosphinic acid

Structural Information

Molecular Formula

C₈H₁₉O₂P

SMILES

CCCCP(=O)(CCCC)O

InChI

InChI=1S/C8H19O2P/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3,(H,9,10)

InChIKey

KSHDLNQYVGBYHZ-UHFFFAOYSA-N

Compound name

dibutylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1662
Patents: 178.11227 Da
Monoisotopic Mass: 1.4
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]+	179.11955	146.5
[M+Na]+	201.10149	152.8
[M-H]-	177.10499	144.0
[M+NH4]+	196.14609	166.9
[M+K]+	217.07543	151.6
[M+H-H2O]+	161.10953	140.1
[M+HCOO]-	223.11047	172.4
[M+CH3COO]-	237.12612	181.0
[M+Na-2H]-	199.08694	148.9
[M]+	178.11172	150.1
[M]-	178.11282	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe