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

6
Patents

242.01097 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.018246 143.6
[M+Na]+ 265.000188 153.4
[M-H]- 241.003694 145.3
[M+NH4]+ 260.044793 159.7
[M+K]+ 280.974128 145.2
[M+H-H2O]+ 225.008230 142.1
[M+HCOO]- 287.009171 162.2
[M+CH3COO]- 301.024821 179.3
[M+Na-2H]- 262.985636 153.0
[M]+ 242.01042142 143.1
[M]- 242.01151858 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