CID 3251301

4-hydrazinyl-3-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H8N4O4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NN
InChI
InChI=1S/C6H8N4O4S/c7-9-5-2-1-4(15(8,13)14)3-6(5)10(11)12/h1-3,9H,7H2,(H2,8,13,14)
InChIKey
YXTIEPFZXOVXHS-UHFFFAOYSA-N
Compound name
4-hydrazinyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

232.02663 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03391 138.8
[M+Na]+ 255.01585 145.2
[M-H]- 231.01935 141.8
[M+NH4]+ 250.06045 154.4
[M+K]+ 270.98979 138.0
[M+H-H2O]+ 215.02389 136.5
[M+HCOO]- 277.02483 160.5
[M+CH3COO]- 291.04048 185.6
[M+Na-2H]- 253.00130 146.3
[M]+ 232.02608 134.9
[M]- 232.02718 134.9
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

patents stripe