CID 320423

3-nitrobenzenesulfonohydrazide

Structural Information

Molecular Formula
C6H7N3O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NN)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O4S/c7-8-14(12,13)6-3-1-2-5(4-6)9(10)11/h1-4,8H,7H2
InChIKey
IHLRXXTYALIWND-UHFFFAOYSA-N
Compound name
3-nitrobenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

217.01573 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02301 137.0
[M+Na]+ 240.00495 143.7
[M-H]- 216.00845 140.5
[M+NH4]+ 235.04955 153.8
[M+K]+ 255.97889 136.9
[M+H-H2O]+ 200.01299 135.1
[M+HCOO]- 262.01393 158.6
[M+CH3COO]- 276.02958 179.8
[M+Na-2H]- 237.99040 145.4
[M]+ 217.01518 134.7
[M]- 217.01628 134.7
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