CID 87408

18018-34-3

Structural Information

Molecular Formula

C₁₁H₁₂F₃N₃

SMILES

CCN1C(=NC2=C1C=C(C(=C2)C(F)(F)F)N)C

InChI

InChI=1S/C11H12F3N3/c1-3-17-6(2)16-9-4-7(11(12,13)14)8(15)5-10(9)17/h4-5H,3,15H2,1-2H3

InChIKey

CBCBTRZQTHHIST-UHFFFAOYSA-N

Compound name

3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 243.09833 Da
Monoisotopic Mass: 2.3
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]+	244.10561	151.0
[M+Na]+	266.08755	163.5
[M-H]-	242.09105	150.1
[M+NH4]+	261.13215	169.4
[M+K]+	282.06149	158.6
[M+H-H2O]+	226.09559	142.0
[M+HCOO]-	288.09653	170.0
[M+CH3COO]-	302.11218	196.6
[M+Na-2H]-	264.07300	155.2
[M]+	243.09778	149.6
[M]-	243.09888	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe