CID 66236

79-88-9

Structural Information

Molecular Formula
C13H12N2O4S
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O4S/c1-10-7-8-12(15(16)17)9-13(10)20(18,19)14-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKey
YBHDHKAUAAYLDS-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

292.0518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05908 159.0
[M+Na]+ 315.04102 172.0
[M+NH4]+ 310.08562 166.3
[M+K]+ 331.01496 167.1
[M-H]- 291.04452 163.8
[M+Na-2H]- 313.02647 167.3
[M]+ 292.05125 162.5
[M]- 292.05235 162.5
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

patents stripe