CID 66459

N-(3-nitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C12H10N2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4S/c15-14(16)11-6-4-5-10(9-11)13-19(17,18)12-7-2-1-3-8-12/h1-9,13H
InChIKey
CWBLFCFUSMBFSO-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

78
Patents

278.03613 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.043406 156.4
[M+Na]+ 301.025348 162.6
[M-H]- 277.028854 163.3
[M+NH4]+ 296.069953 171.0
[M+K]+ 316.999288 154.5
[M+H-H2O]+ 261.033390 153.3
[M+HCOO]- 323.034331 177.3
[M+CH3COO]- 337.049981 189.7
[M+Na-2H]- 299.010796 165.0
[M]+ 278.03558142 155.6
[M]- 278.03667858 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