CID 3613627

(2-bromoethyl)phosphonic acid

Structural Information

Molecular Formula
C2H6BrO3P
SMILES
C(CBr)P(=O)(O)O
InChI
InChI=1S/C2H6BrO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
InChIKey
BFKXVERGWXHHIH-UHFFFAOYSA-N
Compound name
2-bromoethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

187.9238 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.93108 140.0
[M+Na]+ 210.91302 151.5
[M-H]- 186.91652 139.8
[M+NH4]+ 205.95762 162.3
[M+K]+ 226.88696 141.0
[M+H-H2O]+ 170.92106 139.3
[M+HCOO]- 232.92200 163.3
[M+CH3COO]- 246.93765 173.3
[M+Na-2H]- 208.89847 145.3
[M]+ 187.92325 158.7
[M]- 187.92435 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe