CID 5288237

3-fluoro-2-(phosphonooxy)propanoic acid

Structural Information

Molecular Formula
C3H6FO6P
SMILES
C([C@@H](C(=O)O)OP(=O)(O)O)F
InChI
InChI=1S/C3H6FO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey
BNOCDEBUFVJMQI-REOHCLBHSA-N
Compound name
(2R)-3-fluoro-2-phosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.9886 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99588 134.2
[M+Na]+ 210.97782 141.1
[M-H]- 186.98132 128.2
[M+NH4]+ 206.02242 151.9
[M+K]+ 226.95176 141.3
[M+H-H2O]+ 170.98586 127.3
[M+HCOO]- 232.98680 156.7
[M+CH3COO]- 247.00245 172.5
[M+Na-2H]- 208.96327 135.9
[M]+ 187.98805 134.5
[M]- 187.98915 134.5
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

No patent data available for this compound.