CID 511393

2-chloro-2-phosphono-propanoic acid

Structural Information

Molecular Formula
C3H6ClO5P
SMILES
CC(C(=O)O)(P(=O)(O)O)Cl
InChI
InChI=1S/C3H6ClO5P/c1-3(4,2(5)6)10(7,8)9/h1H3,(H,5,6)(H2,7,8,9)
InChIKey
SJGIRNQKDCBTDY-UHFFFAOYSA-N
Compound name
2-chloro-2-phosphonopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.96414 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97142 132.7
[M+Na]+ 210.95336 141.2
[M-H]- 186.95686 128.8
[M+NH4]+ 205.99796 151.8
[M+K]+ 226.92730 139.2
[M+H-H2O]+ 170.96140 128.9
[M+HCOO]- 232.96234 151.2
[M+CH3COO]- 246.97799 171.0
[M+Na-2H]- 208.93881 137.2
[M]+ 187.96359 134.8
[M]- 187.96469 134.8
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.