CID 107647

Dl-fluorocitric acid barium salt

Structural Information

Molecular Formula
C6H7FO7
SMILES
C(C(=O)O)C(C(C(=O)O)F)(C(=O)O)O
InChI
InChI=1S/C6H7FO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
DGXLYHAWEBCTRU-UHFFFAOYSA-N
Compound name
1-fluoro-2-hydroxypropane-1,2,3-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

277
References

555
Patents

210.01758 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02486 136.7
[M+Na]+ 233.00680 142.1
[M-H]- 209.01030 130.3
[M+NH4]+ 228.05140 151.9
[M+K]+ 248.98074 142.2
[M+H-H2O]+ 193.01484 132.0
[M+HCOO]- 255.01578 150.1
[M+CH3COO]- 269.03143 175.8
[M+Na-2H]- 230.99225 137.5
[M]+ 210.01703 134.1
[M]- 210.01813 134.1
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