CID 15725

1799-79-7

Structural Information

Molecular Formula

C₁₀H₉F₃N₂

SMILES

CC1=CC2=C(C=C1C)N=C(N2)C(F)(F)F

InChI

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

InChIKey

TWDHFGXLFNUIKC-UHFFFAOYSA-N

Compound name

5,6-dimethyl-2-(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 12
Patents: 214.07178 Da
Monoisotopic Mass: 3.4
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	146.3
[M+Na]+	237.06100	156.8
[M+NH4]+	232.10560	152.1
[M+K]+	253.03494	153.0
[M-H]-	213.06450	142.7
[M+Na-2H]-	235.04645	150.1
[M]+	214.07123	146.5
[M]-	214.07233	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe