CID 2775116

2-hydroxy-6-(trifluoromethyl)nicotinic acid

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
C1=C(C(=O)NC(=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)4-2-1-3(6(13)14)5(12)11-4/h1-2H,(H,11,12)(H,13,14)
InChIKey
JPOIZUVDMRHIIT-UHFFFAOYSA-N
Compound name
2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

207.01433 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02161 134.8
[M+Na]+ 230.00355 144.9
[M-H]- 206.00705 131.4
[M+NH4]+ 225.04815 151.2
[M+K]+ 245.97749 141.5
[M+H-H2O]+ 190.01159 127.0
[M+HCOO]- 252.01253 151.0
[M+CH3COO]- 266.02818 178.3
[M+Na-2H]- 227.98900 139.5
[M]+ 207.01378 129.7
[M]- 207.01488 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe