CID 7064097

1-(difluoromethyl)-1h-1,3-benzodiazole-2-thiol

Structural Information

Molecular Formula

C₈H₆F₂N₂S

SMILES

C1=CC=C2C(=C1)NC(=S)N2C(F)F

InChI

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

InChIKey

DBYSDRXFCQQCBC-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)-1H-benzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 200.02197 Da
Monoisotopic Mass: 2.3
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	137.5
[M+Na]+	223.01119	148.9
[M+NH4]+	218.05579	144.8
[M+K]+	238.98513	142.8
[M-H]-	199.01469	135.7
[M+Na-2H]-	220.99664	141.8
[M]+	200.02142	138.8
[M]-	200.02252	138.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.