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

71
Patents

201.97678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98406 133.0
[M+Na]+ 224.96600 147.2
[M-H]- 200.96950 132.6
[M+NH4]+ 220.01060 153.5
[M+K]+ 240.93994 139.6
[M+H-H2O]+ 184.97404 127.9
[M+HCOO]- 246.97498 144.1
[M+CH3COO]- 260.99063 146.6
[M+Na-2H]- 222.95145 136.4
[M]+ 201.97623 134.3
[M]- 201.97733 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe