CID 131412

Fosfonochlorin

Structural Information

Molecular Formula
C2H4ClO4P
SMILES
C(C(=O)P(=O)(O)O)Cl
InChI
InChI=1S/C2H4ClO4P/c3-1-2(4)8(5,6)7/h1H2,(H2,5,6,7)
InChIKey
WNRQTPHCNDLIOO-UHFFFAOYSA-N
Compound name
(2-chloroacetyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

207
Patents

157.95357 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.96085 125.0
[M+Na]+ 180.94279 134.1
[M-H]- 156.94629 122.3
[M+NH4]+ 175.98739 146.0
[M+K]+ 196.91673 132.1
[M+H-H2O]+ 140.95083 120.7
[M+HCOO]- 202.95177 146.7
[M+CH3COO]- 216.96742 167.9
[M+Na-2H]- 178.92824 129.1
[M]+ 157.95302 127.7
[M]- 157.95412 127.7
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