CID 3001629

Chembl353997

Structural Information

Molecular Formula
C10H10Cl2N2O2S
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=S)N2)COCCO
InChI
InChI=1S/C10H10Cl2N2O2S/c11-6-3-8-9(4-7(6)12)14(10(17)13-8)5-16-2-1-15/h3-4,15H,1-2,5H2,(H,13,17)
InChIKey
QEUPVXSATLFUIN-UHFFFAOYSA-N
Compound name
5,6-dichloro-3-(2-hydroxyethoxymethyl)-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.984 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99128 156.5
[M+Na]+ 314.97322 169.7
[M-H]- 290.97672 156.7
[M+NH4]+ 310.01782 173.8
[M+K]+ 330.94716 162.1
[M+H-H2O]+ 274.98126 152.4
[M+HCOO]- 336.98220 163.0
[M+CH3COO]- 350.99785 168.4
[M+Na-2H]- 312.95867 157.8
[M]+ 291.98345 163.7
[M]- 291.98455 163.7
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

No patent data available for this compound.