CID 120051

28791-26-6

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)11-7-4-8-12(9-11)19(17,18)13-10-5-2-1-3-6-10/h1-9,13H
InChIKey
OXJDTNIWMQCOQT-UHFFFAOYSA-N
Compound name
3-nitro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

278.03613 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04341 154.2
[M+Na]+ 301.02535 167.1
[M+NH4]+ 296.06995 161.7
[M+K]+ 316.99929 162.2
[M-H]- 277.02885 159.0
[M+Na-2H]- 299.01080 163.0
[M]+ 278.03558 157.7
[M]- 278.03668 157.7
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