CID 597703

705-09-9

Structural Information

Molecular Formula

C₈H₆F₂N₂

SMILES

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

InChI

InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)

InChIKey

PURNIHSRWGYONZ-UHFFFAOYSA-N

Compound name

2-(difluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 275
Patents: 168.04991 Da
Monoisotopic Mass: 2.4
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]+	169.05719	130.8
[M+Na]+	191.03913	142.5
[M+NH4]+	186.08373	138.2
[M+K]+	207.01307	138.3
[M-H]-	167.04263	129.1
[M+Na-2H]-	189.02458	136.5
[M]+	168.04936	131.7
[M]-	168.05046	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe