CID 2774259

5,6-dichloro-1h-benzimidazole-2-thiol

Structural Information

Molecular Formula
C7H4Cl2N2S
SMILES
C1=C2C(=CC(=C1Cl)Cl)NC(=S)N2
InChI
InChI=1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKey
AFDOMGKBKBKUHB-UHFFFAOYSA-N
Compound name
5,6-dichloro-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

128
Patents

217.94722 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.954496 137.7
[M+Na]+ 240.936438 151.9
[M-H]- 216.939944 138.0
[M+NH4]+ 235.981043 157.8
[M+K]+ 256.910378 143.8
[M+H-H2O]+ 200.944480 134.0
[M+HCOO]- 262.945421 144.7
[M+CH3COO]- 276.961071 150.9
[M+Na-2H]- 238.921886 140.7
[M]+ 217.94667142 140.6
[M]- 217.94776858 140.6
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