CID 937216

321578-79-4

Structural Information

Molecular Formula

C₈H₆F₂N₂S

SMILES

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

InChI

InChI=1S/C8H6F2N2S/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)

InChIKey

GUCODYJAVBMOPG-UHFFFAOYSA-N

Compound name

2-(difluoromethylsulfanyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 200.02197 Da
Monoisotopic Mass: 3.1
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]+	201.02925	136.3
[M+Na]+	223.01119	147.5
[M+NH4]+	218.05579	144.0
[M+K]+	238.98513	141.3
[M-H]-	199.01469	134.8
[M+Na-2H]-	220.99664	141.2
[M]+	200.02142	137.7
[M]-	200.02252	137.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.