CID 20316103

62409-48-7

Structural Information

Molecular Formula
C6H6N4O6S
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C6H6N4O6S/c7-6-4(9(11)12)1-3(17(8,15)16)2-5(6)10(13)14/h1-2H,7H2,(H2,8,15,16)
InChIKey
NGGSHOMDJNQYEZ-UHFFFAOYSA-N
Compound name
4-amino-3,5-dinitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

5
Patents

262.0008 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00808 145.2
[M+Na]+ 284.99002 150.9
[M-H]- 260.99352 148.2
[M+NH4]+ 280.03462 158.4
[M+K]+ 300.96396 139.8
[M+H-H2O]+ 244.99806 147.1
[M+HCOO]- 306.99900 166.0
[M+CH3COO]- 321.01465 183.5
[M+Na-2H]- 282.97547 153.8
[M]+ 262.00025 140.2
[M]- 262.00135 140.2
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

patents stripe