CID 2774214

4-chloro-3-nitrobenzenesulfonohydrazide

Structural Information

Molecular Formula
C6H6ClN3O4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)NN)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H6ClN3O4S/c7-5-2-1-4(15(13,14)9-8)3-6(5)10(11)12/h1-3,9H,8H2
InChIKey
JCIYPXNOFMKDLV-UHFFFAOYSA-N
Compound name
4-chloro-3-nitrobenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

250.97676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98404 144.4
[M+Na]+ 273.96598 152.1
[M-H]- 249.96948 148.0
[M+NH4]+ 269.01058 160.8
[M+K]+ 289.93992 143.9
[M+H-H2O]+ 233.97402 144.0
[M+HCOO]- 295.97496 161.4
[M+CH3COO]- 309.99061 184.9
[M+Na-2H]- 271.95143 151.5
[M]+ 250.97621 144.4
[M]- 250.97731 144.4
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