CID 59553896

4-chloro-2-(trifluoromethyl)nicotinic acid

Structural Information

Molecular Formula

C₇H₃ClF₃NO₂

SMILES

C1=CN=C(C(=C1Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C7H3ClF3NO2/c8-3-1-2-12-5(7(9,10)11)4(3)6(13)14/h1-2H,(H,13,14)

InChIKey

LORVMHLMFSWALD-UHFFFAOYSA-N

Compound name

4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 224.98044 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.98772	142.6
[M+Na]+	247.96966	152.1
[M+NH4]+	243.01426	147.4
[M+K]+	263.94360	148.2
[M-H]-	223.97316	138.0
[M+Na-2H]-	245.95511	146.2
[M]+	224.97989	142.5
[M]-	224.98099	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe