CID 594620

732-20-7

Structural Information

Molecular Formula

C₁₁H₁₁F₃N₂O₂S

SMILES

CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C11H11F3N2O2S/c1-3-16-7(2)15-9-6-8(4-5-10(9)16)19(17,18)11(12,13)14/h4-6H,3H2,1-2H3

InChIKey

DBDYZOLYNLUOAR-UHFFFAOYSA-N

Compound name

1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 2
Patents: 292.04935 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]+	293.05663	160.1
[M+Na]+	315.03857	173.3
[M-H]-	291.04207	159.8
[M+NH4]+	310.08317	177.2
[M+K]+	331.01251	168.6
[M+H-H2O]+	275.04661	152.0
[M+HCOO]-	337.04755	172.8
[M+CH3COO]-	351.06320	197.8
[M+Na-2H]-	313.02402	163.6
[M]+	292.04880	163.3
[M]-	292.04990	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe