CID 229600

2-nitro-n-phenylbenzenesulfonamide

Structural Information

Molecular Formula
C12H10N2O4S
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4S/c15-14(16)11-8-4-5-9-12(11)19(17,18)13-10-6-2-1-3-7-10/h1-9,13H
InChIKey
MLPVALKIJBKOGG-UHFFFAOYSA-N
Compound name
2-nitro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

120
Patents

278.03613 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04341 156.4
[M+Na]+ 301.02535 162.6
[M-H]- 277.02885 163.3
[M+NH4]+ 296.06995 171.0
[M+K]+ 316.99929 154.5
[M+H-H2O]+ 261.03339 153.3
[M+HCOO]- 323.03433 177.3
[M+CH3COO]- 337.04998 189.7
[M+Na-2H]- 299.01080 165.0
[M]+ 278.03558 155.6
[M]- 278.03668 155.6
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