CID 38081

Flunixin

Structural Information

Molecular Formula

C₁₄H₁₁F₃N₂O₂

SMILES

CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)

InChIKey

NOOCSNJCXJYGPE-UHFFFAOYSA-N

Compound name

2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 199
References: 8768
Patents: 296.07727 Da
Monoisotopic Mass: 4.1
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]+	297.08455	163.1
[M+Na]+	319.06649	171.8
[M-H]-	295.06999	163.9
[M+NH4]+	314.11109	176.1
[M+K]+	335.04043	166.9
[M+H-H2O]+	279.07453	152.8
[M+HCOO]-	341.07547	180.5
[M+CH3COO]-	355.09112	202.6
[M+Na-2H]-	317.05194	166.8
[M]+	296.07672	158.9
[M]-	296.07782	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe