CID 84694269

1782868-41-0

Structural Information

Molecular Formula

C₁₀H₈F₃NO₂

SMILES

C1CC1C2=NC(=CC(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-6(9(15)16)3-7(14-8)5-1-2-5/h3-5H,1-2H2,(H,15,16)

InChIKey

SAZMXYGRFBABPD-UHFFFAOYSA-N

Compound name

2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 231.05072 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]+	232.057996	141.8
[M+Na]+	254.039938	152.3
[M-H]-	230.043444	143.4
[M+NH4]+	249.084543	153.2
[M+K]+	270.013878	147.8
[M+H-H2O]+	214.047980	132.6
[M+HCOO]-	276.048921	158.8
[M+CH3COO]-	290.064571	190.1
[M+Na-2H]-	252.025386	146.0
[M]+	231.05017142	140.2
[M]-	231.05126858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe