CID 12521975

(bromomethyl)phosphonic acid

Structural Information

Molecular Formula
CH4BrO3P
SMILES
C(P(=O)(O)O)Br
InChI
InChI=1S/CH4BrO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
InChIKey
OYWFWDQOWQBTHK-UHFFFAOYSA-N
Compound name
bromomethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

173.90814 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.91542 135.3
[M+Na]+ 196.89736 147.2
[M-H]- 172.90086 135.2
[M+NH4]+ 191.94196 158.1
[M+K]+ 212.87130 136.9
[M+H-H2O]+ 156.90540 134.7
[M+HCOO]- 218.90634 158.9
[M+CH3COO]- 232.92199 170.5
[M+Na-2H]- 194.88281 141.1
[M]+ 173.90759 153.6
[M]- 173.90869 153.6
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