CID 49871099

6-chloro-2-(trifluoromethoxy)nicotinic acid

Structural Information

Molecular Formula
C7H3ClF3NO3
SMILES
C1=CC(=NC(=C1C(=O)O)OC(F)(F)F)Cl
InChI
InChI=1S/C7H3ClF3NO3/c8-4-2-1-3(6(13)14)5(12-4)15-7(9,10)11/h1-2H,(H,13,14)
InChIKey
OMGPEKLXZHLEDL-UHFFFAOYSA-N
Compound name
6-chloro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.97536 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98264 138.6
[M+Na]+ 263.96458 149.5
[M-H]- 239.96808 136.4
[M+NH4]+ 259.00918 155.2
[M+K]+ 279.93852 145.7
[M+H-H2O]+ 223.97262 131.2
[M+HCOO]- 285.97356 151.6
[M+CH3COO]- 299.98921 185.4
[M+Na-2H]- 261.95003 143.6
[M]+ 240.97481 138.1
[M]- 240.97591 138.1
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