CID 9561060

Nsc12050

Structural Information

Molecular Formula
C13H10N4O6S
SMILES
C1=CC=C(C(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O6S/c18-16(19)11-5-7-12(8-6-11)24(22,23)15-14-9-10-3-1-2-4-13(10)17(20)21/h1-9,15H/b14-9+
InChIKey
WXFHZVPXVCAKMD-NTEUORMPSA-N
Compound name
4-nitro-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0321 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03938 172.7
[M+Na]+ 373.02132 176.0
[M-H]- 349.02482 180.0
[M+NH4]+ 368.06592 182.7
[M+K]+ 388.99526 164.1
[M+H-H2O]+ 333.02936 172.0
[M+HCOO]- 395.03030 195.3
[M+CH3COO]- 409.04595 201.4
[M+Na-2H]- 371.00677 183.4
[M]+ 350.03155 170.0
[M]- 350.03265 170.0
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.