CID 19771518

2-fluoro-3-hydroxybutanedioic acid

Structural Information

Molecular Formula
C4H5FO5
SMILES
C(C(C(=O)O)F)(C(=O)O)O
InChI
InChI=1S/C4H5FO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,(H,7,8)(H,9,10)
InChIKey
FJOQIMHGSNFURE-UHFFFAOYSA-N
Compound name
2-fluoro-3-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

152.0121 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01938 125.6
[M+Na]+ 175.00132 131.9
[M-H]- 151.00482 120.7
[M+NH4]+ 170.04592 144.0
[M+K]+ 190.97526 132.1
[M+H-H2O]+ 135.00936 120.7
[M+HCOO]- 197.01030 142.1
[M+CH3COO]- 211.02595 168.1
[M+Na-2H]- 172.98677 126.5
[M]+ 152.01155 122.4
[M]- 152.01265 122.4
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