CID 2793596

N-(2-methyl-5-nitrophenyl)-3-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C13H11N3O6S
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O6S/c1-9-5-6-11(16(19)20)8-13(9)14-23(21,22)12-4-2-3-10(7-12)15(17)18/h2-8,14H,1H3
InChIKey
UEOWDZALSKFUNI-UHFFFAOYSA-N
Compound name
N-(2-methyl-5-nitrophenyl)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.03687 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04415 177.2
[M+Na]+ 360.02609 183.6
[M+NH4]+ 355.07069 186.2
[M+K]+ 376.00003 192.6
[M-H]- 336.02959 174.2
[M+Na-2H]- 358.01154 175.8
[M]+ 337.03632 179.5
[M]- 337.03742 179.5
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

No patent data available for this compound.