CID 118948813

1887222-47-0

Structural Information

Molecular Formula

C₁₀H₈F₃NO₂

SMILES

C1CC1(C2=NC=CC(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C10H8F3NO2/c11-10(12,13)9(2-3-9)7-5-6(8(15)16)1-4-14-7/h1,4-5H,2-3H2,(H,15,16)

InChIKey

SARGGQFJDMZIEU-UHFFFAOYSA-N

Compound name

2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 231.05072 Da
Monoisotopic Mass: 2.1
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]+	232.057996	143.0
[M+Na]+	254.039938	153.5
[M-H]-	230.043444	144.6
[M+NH4]+	249.084543	156.1
[M+K]+	270.013878	150.0
[M+H-H2O]+	214.047980	134.8
[M+HCOO]-	276.048921	159.8
[M+CH3COO]-	290.064571	188.5
[M+Na-2H]-	252.025386	149.0
[M]+	231.05017142	141.5
[M]-	231.05126858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe