CID 25210500

590371-38-3

Structural Information

Molecular Formula

C₇H₄F₃NO₂

SMILES

C1=CN=CC(=C1C(=O)O)C(F)(F)F

InChI

InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)

InChIKey

FBOSFEOQEZQFOC-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 191.01941 Da
Monoisotopic Mass: 1.3
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]+	192.02669	140.3
[M+Na]+	214.00863	149.0
[M+NH4]+	209.05323	144.9
[M+K]+	229.98257	145.3
[M-H]-	190.01213	135.6
[M+Na-2H]-	211.99408	143.8
[M]+	191.01886	139.8
[M]-	191.01996	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe