CID 3087602

1h-benzimidazole-2-sulfonamide, 5-nitro-

Structural Information

Molecular Formula
C7H6N4O4S
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)S(=O)(=O)N
InChI
InChI=1S/C7H6N4O4S/c8-16(14,15)7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H,9,10)(H2,8,14,15)
InChIKey
OWCGSWVKRZFCJD-UHFFFAOYSA-N
Compound name
6-nitro-1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.01097 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01825 143.6
[M+Na]+ 265.00019 153.4
[M-H]- 241.00369 145.3
[M+NH4]+ 260.04479 159.7
[M+K]+ 280.97413 145.2
[M+H-H2O]+ 225.00823 142.1
[M+HCOO]- 287.00917 162.2
[M+CH3COO]- 301.02482 179.3
[M+Na-2H]- 262.98564 153.0
[M]+ 242.01042 143.1
[M]- 242.01152 143.1
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