CID 18409311

1190-14-3

Structural Information

Molecular Formula

C₄H₁₀BrO₃P

SMILES

C(CCBr)CP(=O)(O)O

InChI

InChI=1S/C4H10BrO3P/c5-3-1-2-4-9(6,7)8/h1-4H2,(H2,6,7,8)

InChIKey

FXFARGAYPHUQQL-UHFFFAOYSA-N

Compound name

4-bromobutylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 215.9551 Da
Monoisotopic Mass: -0.1
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]+	216.96238	149.5
[M+Na]+	238.94432	160.2
[M-H]-	214.94782	148.9
[M+NH4]+	233.98892	170.8
[M+K]+	254.91826	149.2
[M+H-H2O]+	198.95236	148.3
[M+HCOO]-	260.95330	172.2
[M+CH3COO]-	274.96895	179.0
[M+Na-2H]-	236.92977	153.7
[M]+	215.95455	168.9
[M]-	215.95565	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe