CID 88225

Sulfamide, n,n'-bis(4-nitrophenyl)-

Structural Information

Molecular Formula
C12H10N4O6S
SMILES
C1=CC(=CC=C1NS(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O6S/c17-15(18)11-5-1-9(2-6-11)13-23(21,22)14-10-3-7-12(8-4-10)16(19)20/h1-8,13-14H
InChIKey
AHQKAJFDGDOBMG-UHFFFAOYSA-N
Compound name
4-nitro-N-[(4-nitrophenyl)sulfamoyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0321 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03938 166.4
[M+Na]+ 361.02132 169.4
[M-H]- 337.02482 172.6
[M+NH4]+ 356.06592 176.2
[M+K]+ 376.99526 157.5
[M+H-H2O]+ 321.02936 166.2
[M+HCOO]- 383.03030 187.8
[M+CH3COO]- 397.04595 197.6
[M+Na-2H]- 359.00677 177.5
[M]+ 338.03155 162.5
[M]- 338.03265 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

literature stripe

Patent stripe

No patent data available for this compound.