CID 67946

3-fluoropyruvate

Structural Information

Molecular Formula
C3H3FO3
SMILES
C(C(=O)C(=O)O)F
InChI
InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
InChIKey
CXABZTLXNODUTD-UHFFFAOYSA-N
Compound name
3-fluoro-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

1206
Patents

106.00662 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.01390 114.1
[M+Na]+ 128.99584 122.3
[M-H]- 104.99934 112.2
[M+NH4]+ 124.04044 136.2
[M+K]+ 144.96978 122.6
[M+H-H2O]+ 89.003880 109.4
[M+HCOO]- 151.00482 135.5
[M+CH3COO]- 165.02047 163.9
[M+Na-2H]- 126.98129 119.3
[M]+ 106.00607 112.8
[M]- 106.00717 112.8
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