CID 10679106

123470-47-3

Structural Information

Molecular Formula

C₇H₄F₂N₂S

SMILES

C1=C2C(=CC(=C1F)F)NC(=S)N2

InChI

InChI=1S/C7H4F2N2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)

InChIKey

SPVMMWAWALXDSC-UHFFFAOYSA-N

Compound name

5,6-difluoro-1,3-dihydrobenzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 186.00633 Da
Monoisotopic Mass: 1.4
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]+	187.01361	133.6
[M+Na]+	208.99555	145.5
[M+NH4]+	204.04015	140.9
[M+K]+	224.96949	139.2
[M-H]-	184.99905	131.7
[M+Na-2H]-	206.98100	137.7
[M]+	186.00578	134.9
[M]-	186.00688	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe