CID 338981

782-55-8

Structural Information

Molecular Formula

C₁₀H₇F₃N₂O

SMILES

C1=CC=C2C(=C1)NC(=N2)CC(=O)C(F)(F)F

InChI

InChI=1S/C10H7F3N2O/c11-10(12,13)8(16)5-9-14-6-3-1-2-4-7(6)15-9/h1-4H,5H2,(H,14,15)

InChIKey

HJYPHXMVQPUHIO-UHFFFAOYSA-N

Compound name

3-(1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 228.05104 Da
Monoisotopic Mass: 2.5
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]+	229.05832	147.2
[M+Na]+	251.04026	156.3
[M+NH4]+	246.08486	152.1
[M+K]+	267.01420	153.3
[M-H]-	227.04376	142.6
[M+Na-2H]-	249.02571	150.7
[M]+	228.05049	146.8
[M]-	228.05159	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe