CID 1268248

142313-30-2

Structural Information

Molecular Formula

C₇H₄ClFN₂S

SMILES

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

InChI

InChI=1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)

InChIKey

DQXCFZSRGLNXKW-UHFFFAOYSA-N

Compound name

5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 68
Patents: 201.97678 Da
Monoisotopic Mass: 1.9
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]+	202.98406	135.0
[M+Na]+	224.96600	149.0
[M+NH4]+	220.01060	143.7
[M+K]+	240.93994	141.7
[M-H]-	200.96950	134.8
[M+Na-2H]-	222.95145	140.1
[M]+	201.97623	137.6
[M]-	201.97733	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe