CID 3074549

1h-benzimidazole, 2-chloro-1-(3-thietanyl)-, s,s-dioxide

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
C1C(CS1(=O)=O)N2C3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C10H9ClN2O2S/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-16(14,15)6-7/h1-4,7H,5-6H2
InChIKey
ZYXJYPRAZGLUNP-UHFFFAOYSA-N
Compound name
3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00732 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01460 140.1
[M+Na]+ 278.99654 150.5
[M+NH4]+ 274.04114 146.5
[M+K]+ 294.97048 144.0
[M-H]- 255.00004 139.9
[M+Na-2H]- 276.98199 146.3
[M]+ 256.00677 141.2
[M]- 256.00787 141.2
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.