CID 3967823

N-(2,4-dinitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C12H9N3O6S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O6S/c16-14(17)9-6-7-11(12(8-9)15(18)19)13-22(20,21)10-4-2-1-3-5-10/h1-8,13H
InChIKey
GVRHCWYGXNDUCX-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0212 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.02848 166.2
[M+Na]+ 346.01042 170.2
[M-H]- 322.01392 172.6
[M+NH4]+ 341.05502 177.1
[M+K]+ 361.98436 158.4
[M+H-H2O]+ 306.01846 166.5
[M+HCOO]- 368.01940 186.8
[M+CH3COO]- 382.03505 192.9
[M+Na-2H]- 343.99587 176.2
[M]+ 323.02065 163.2
[M]- 323.02175 163.2
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.