CID 17389855

181473-23-4

Structural Information

Molecular Formula
C8H7ClN2O2S
SMILES
CC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(14(9,12)13)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKey
OKYFXCWQGPKWQL-UHFFFAOYSA-N
Compound name
2-methyl-3H-benzimidazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99167 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99895 146.3
[M+Na]+ 252.98089 160.0
[M+NH4]+ 248.02549 154.3
[M+K]+ 268.95483 153.8
[M-H]- 228.98439 146.1
[M+Na-2H]- 250.96634 151.5
[M]+ 229.99112 148.9
[M]- 229.99222 148.9
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.