CID 54593947

1-methyl-1h-1,3-benzodiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H7ClN2O2S
SMILES
CN1C=NC2=C1C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClN2O2S/c1-11-5-10-7-4-6(14(9,12)13)2-3-8(7)11/h2-5H,1H3
InChIKey
OOPRJSVWFDUCQH-UHFFFAOYSA-N
Compound name
1-methylbenzimidazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.99167 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.998946 144.7
[M+Na]+ 252.980888 158.7
[M-H]- 228.984394 148.4
[M+NH4]+ 248.025493 165.1
[M+K]+ 268.954828 154.0
[M+H-H2O]+ 212.988930 139.8
[M+HCOO]- 274.989871 158.6
[M+CH3COO]- 289.005521 183.5
[M+Na-2H]- 250.966336 150.4
[M]+ 229.99112142 152.2
[M]- 229.99221858 152.2
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

patents stripe