CID 4376761

(3-bromopropyl)phosphonic acid

Structural Information

Molecular Formula

C₃H₈BrO₃P

SMILES

C(CP(=O)(O)O)CBr

InChI

InChI=1S/C3H8BrO3P/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)

InChIKey

CXOIECRVHUDBSA-UHFFFAOYSA-N

Compound name

3-bromopropylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 422
Patents: 201.93944 Da
Monoisotopic Mass: -0.5
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]+	202.94672	144.8
[M+Na]+	224.92866	155.9
[M-H]-	200.93216	144.4
[M+NH4]+	219.97326	166.5
[M+K]+	240.90260	145.1
[M+H-H2O]+	184.93670	143.8
[M+HCOO]-	246.93764	167.7
[M+CH3COO]-	260.95329	176.2
[M+Na-2H]-	222.91411	149.5
[M]+	201.93889	163.8
[M]-	201.93999	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe