CID 141197

25371-97-5

Structural Information

Molecular Formula

C₁₀H₇F₃N₂

SMILES

C1=CC(=CC(=C1)N2C=CN=C2)C(F)(F)F

InChI

InChI=1S/C10H7F3N2/c11-10(12,13)8-2-1-3-9(6-8)15-5-4-14-7-15/h1-7H

InChIKey

KZVUPVJLOACZIL-UHFFFAOYSA-N

Compound name

1-[3-(trifluoromethyl)phenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 212.05614 Da
Monoisotopic Mass: 2.6
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]+	213.06342	140.0
[M+Na]+	235.04536	150.0
[M-H]-	211.04886	140.7
[M+NH4]+	230.08996	157.8
[M+K]+	251.01930	146.0
[M+H-H2O]+	195.05340	129.9
[M+HCOO]-	257.05434	159.1
[M+CH3COO]-	271.06999	184.4
[M+Na-2H]-	233.03081	145.9
[M]+	212.05559	136.0
[M]-	212.05669	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe