CID 511386

Chloro(phosphono)acetic acid

Structural Information

Molecular Formula
C2H4ClO5P
SMILES
C(C(=O)O)(P(=O)(O)O)Cl
InChI
InChI=1S/C2H4ClO5P/c3-1(2(4)5)9(6,7)8/h1H,(H,4,5)(H2,6,7,8)
InChIKey
PMGINNPAPWFWMT-UHFFFAOYSA-N
Compound name
2-chloro-2-phosphonoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

173.94849 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.95577 127.4
[M+Na]+ 196.93771 135.7
[M-H]- 172.94121 123.4
[M+NH4]+ 191.98231 146.9
[M+K]+ 212.91165 133.9
[M+H-H2O]+ 156.94575 123.2
[M+HCOO]- 218.94669 146.8
[M+CH3COO]- 232.96234 168.5
[M+Na-2H]- 194.92316 129.9
[M]+ 173.94794 129.0
[M]- 173.94904 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.