CID 75723

Chloromethylphosphonic acid

Structural Information

Molecular Formula
CH4ClO3P
SMILES
C(P(=O)(O)O)Cl
InChI
InChI=1S/CH4ClO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
InChIKey
MOFCYHDQWIZKMY-UHFFFAOYSA-N
Compound name
chloromethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

919
Patents

129.95866 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.96594 120.1
[M+Na]+ 152.94788 129.7
[M-H]- 128.95138 117.5
[M+NH4]+ 147.99248 142.5
[M+K]+ 168.92182 127.6
[M+H-H2O]+ 112.95592 116.1
[M+HCOO]- 174.95686 142.6
[M+CH3COO]- 188.97251 162.9
[M+Na-2H]- 150.93333 125.7
[M]+ 129.95811 122.3
[M]- 129.95921 122.3
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