CID 10911854

2,4-dinitrobenzenesulfonamide

Structural Information

Molecular Formula
C6H5N3O6S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C6H5N3O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,(H2,7,14,15)
InChIKey
HMMRSEKWXWQVIW-UHFFFAOYSA-N
Compound name
2,4-dinitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

461
Patents

246.9899 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99718 144.5
[M+Na]+ 269.97912 150.5
[M-H]- 245.98262 148.0
[M+NH4]+ 265.02372 158.8
[M+K]+ 285.95306 139.9
[M+H-H2O]+ 229.98716 146.8
[M+HCOO]- 291.98810 165.1
[M+CH3COO]- 306.00375 178.2
[M+Na-2H]- 267.96457 153.6
[M]+ 246.98935 140.9
[M]- 246.99045 140.9
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