CID 43104392

(4-nitrophenyl)methanesulfonohydrazide

Structural Information

Molecular Formula
C7H9N3O4S
SMILES
C1=CC(=CC=C1CS(=O)(=O)NN)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O4S/c8-9-15(13,14)5-6-1-3-7(4-2-6)10(11)12/h1-4,9H,5,8H2
InChIKey
MDHCWYWHOLSFGY-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methanesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.03137 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03865 141.6
[M+Na]+ 254.02059 147.8
[M-H]- 230.02409 144.9
[M+NH4]+ 249.06519 157.8
[M+K]+ 269.99453 140.8
[M+H-H2O]+ 214.02863 139.5
[M+HCOO]- 276.02957 162.8
[M+CH3COO]- 290.04522 182.9
[M+Na-2H]- 252.00604 149.5
[M]+ 231.03082 139.6
[M]- 231.03192 139.6
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