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]+ 218.95450 137.7
[M+Na]+ 240.93644 151.9
[M-H]- 216.93994 138.0
[M+NH4]+ 235.98104 157.8
[M+K]+ 256.91038 143.8
[M+H-H2O]+ 200.94448 134.0
[M+HCOO]- 262.94542 144.7
[M+CH3COO]- 276.96107 150.9
[M+Na-2H]- 238.92189 140.7
[M]+ 217.94667 140.6
[M]- 217.94777 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.