CID 456827

N'-(4-nitrophenyl)sulfonylacetohydrazide

Structural Information

Molecular Formula
C8H9N3O5S
SMILES
CC(=O)NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O5S/c1-6(12)9-10-17(15,16)8-4-2-7(3-5-8)11(13)14/h2-5,10H,1H3,(H,9,12)
InChIKey
WSQKMGIGVBJRRV-UHFFFAOYSA-N
Compound name
N'-(4-nitrophenyl)sulfonylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0263 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.03358 148.3
[M+Na]+ 282.01552 153.8
[M-H]- 258.01902 152.0
[M+NH4]+ 277.06012 163.4
[M+K]+ 297.98946 147.4
[M+H-H2O]+ 242.02356 145.9
[M+HCOO]- 304.02450 169.2
[M+CH3COO]- 318.04015 187.8
[M+Na-2H]- 280.00097 156.0
[M]+ 259.02575 147.5
[M]- 259.02685 147.5
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

No patent data available for this compound.