CID 262499

1-methanesulfonyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CS(=O)(=O)N1C=NC2=CC=CC=C21
InChI
InChI=1S/C8H8N2O2S/c1-13(11,12)10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKey
XWGLWTLUQQRMOS-UHFFFAOYSA-N
Compound name
1-methylsulfonylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

45
Patents

196.03065 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 138.5
[M+Na]+ 219.01987 151.1
[M-H]- 195.02337 141.9
[M+NH4]+ 214.06447 159.2
[M+K]+ 234.99381 148.0
[M+H-H2O]+ 179.02791 132.8
[M+HCOO]- 241.02885 157.1
[M+CH3COO]- 255.04450 178.6
[M+Na-2H]- 217.00532 145.4
[M]+ 196.03010 143.9
[M]- 196.03120 143.9
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