CID 471185

.alpha.-fluoro phophonoacetic acid

Structural Information

Molecular Formula
C2H4FO5P
SMILES
C(C(=O)O)(F)P(=O)(O)O
InChI
InChI=1S/C2H4FO5P/c3-1(2(4)5)9(6,7)8/h1H,(H,4,5)(H2,6,7,8)
InChIKey
OAWGYHQRRDKKPP-UHFFFAOYSA-N
Compound name
2-fluoro-2-phosphonoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

384
Patents

157.97804 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.98532 127.6
[M+Na]+ 180.96726 135.0
[M-H]- 156.97076 121.8
[M+NH4]+ 176.01186 146.6
[M+K]+ 196.94120 134.9
[M+H-H2O]+ 140.97530 121.1
[M+HCOO]- 202.97624 150.2
[M+CH3COO]- 216.99189 167.3
[M+Na-2H]- 178.95271 129.5
[M]+ 157.97749 126.0
[M]- 157.97859 126.0
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