CID 18365

2-fluoropropanedioic acid

Structural Information

Molecular Formula
C3H3FO4
SMILES
C(C(=O)O)(C(=O)O)F
InChI
InChI=1S/C3H3FO4/c4-1(2(5)6)3(7)8/h1H,(H,5,6)(H,7,8)
InChIKey
RBCXEDQEZDUMHD-UHFFFAOYSA-N
Compound name
2-fluoropropanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

708
Patents

122.00153 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.008806 117.7
[M+Na]+ 144.990748 125.1
[M-H]- 120.994254 114.4
[M+NH4]+ 140.035353 138.2
[M+K]+ 160.964688 125.5
[M+H-H2O]+ 104.998790 113.0
[M+HCOO]- 166.999731 136.8
[M+CH3COO]- 181.015381 164.4
[M+Na-2H]- 142.976196 121.0
[M]+ 122.00098142 115.2
[M]- 122.00207858 115.2
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