CID 114269

63815-72-5

Structural Information

Molecular Formula

C₁₀H₉F₃N₂

SMILES

CC1=NC2=C(N1C)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C10H9F3N2/c1-6-14-8-5-7(10(11,12)13)3-4-9(8)15(6)2/h3-5H,1-2H3

InChIKey

QIOYCRVQIQHGRR-UHFFFAOYSA-N

Compound name

1,2-dimethyl-5-(trifluoromethyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 28
Patents: 214.07178 Da
Monoisotopic Mass: 2.7
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]+	215.07906	146.5
[M+Na]+	237.06100	157.5
[M+NH4]+	232.10560	152.6
[M+K]+	253.03494	153.4
[M-H]-	213.06450	143.3
[M+Na-2H]-	235.04645	150.8
[M]+	214.07123	147.0
[M]-	214.07233	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe