CID 511392

2-fluoro-2-phosphono-propanoic acid

Structural Information

Molecular Formula
C3H6FO5P
SMILES
CC(C(=O)O)(F)P(=O)(O)O
InChI
InChI=1S/C3H6FO5P/c1-3(4,2(5)6)10(7,8)9/h1H3,(H,5,6)(H2,7,8,9)
InChIKey
RHBJDSZOZXMCEZ-UHFFFAOYSA-N
Compound name
2-fluoro-2-phosphonopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.99368 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00096 132.5
[M+Na]+ 194.98290 140.1
[M-H]- 170.98640 126.8
[M+NH4]+ 190.02750 151.1
[M+K]+ 210.95684 139.8
[M+H-H2O]+ 154.99094 126.5
[M+HCOO]- 216.99188 154.2
[M+CH3COO]- 231.00753 169.8
[M+Na-2H]- 192.96835 136.3
[M]+ 171.99313 131.4
[M]- 171.99423 131.4
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.