CID 22616293

1094671-87-0

Structural Information

Molecular Formula
C9H9N3O2S
SMILES
C1=CC=C(C(=C1)N2C=CN=C2)S(=O)(=O)N
InChI
InChI=1S/C9H9N3O2S/c10-15(13,14)9-4-2-1-3-8(9)12-6-5-11-7-12/h1-7H,(H2,10,13,14)
InChIKey
PVZMUQOQLLVSKN-UHFFFAOYSA-N
Compound name
2-imidazol-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

223.04155 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.048826 146.2
[M+Na]+ 246.030768 156.4
[M-H]- 222.034274 151.0
[M+NH4]+ 241.075373 163.7
[M+K]+ 262.004708 152.5
[M+H-H2O]+ 206.038810 139.1
[M+HCOO]- 268.039751 165.1
[M+CH3COO]- 282.055401 184.3
[M+Na-2H]- 244.016216 150.7
[M]+ 223.04100142 147.3
[M]- 223.04209858 147.3
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