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 141.4
[M+Na]+ 278.99654 153.5
[M-H]- 255.00004 147.5
[M+NH4]+ 274.04114 156.0
[M+K]+ 294.97048 151.2
[M+H-H2O]+ 239.00458 131.0
[M+HCOO]- 301.00552 154.7
[M+CH3COO]- 315.02117 155.1
[M+Na-2H]- 276.98199 146.0
[M]+ 256.00677 156.4
[M]- 256.00787 156.4
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.