CID 2744238

Mls000859577

Structural Information

Molecular Formula
C9H9ClN2S
SMILES
CCN1C2=C(C=C(C=C2)Cl)NC1=S
InChI
InChI=1S/C9H9ClN2S/c1-2-12-8-4-3-6(10)5-7(8)11-9(12)13/h3-5H,2H2,1H3,(H,11,13)
InChIKey
OPMZGSYBJXINHP-UHFFFAOYSA-N
Compound name
6-chloro-3-ethyl-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

212.0175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.024776 140.5
[M+Na]+ 235.006718 154.3
[M-H]- 211.010224 142.6
[M+NH4]+ 230.051323 161.4
[M+K]+ 250.980658 147.6
[M+H-H2O]+ 195.014760 135.6
[M+HCOO]- 257.015701 153.5
[M+CH3COO]- 271.031351 154.5
[M+Na-2H]- 232.992166 143.7
[M]+ 212.01695142 145.3
[M]- 212.01804858 145.3
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