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]+ 232.038646 141.6
[M+Na]+ 254.020588 147.8
[M-H]- 230.024094 144.9
[M+NH4]+ 249.065193 157.8
[M+K]+ 269.994528 140.8
[M+H-H2O]+ 214.028630 139.5
[M+HCOO]- 276.029571 162.8
[M+CH3COO]- 290.045221 182.9
[M+Na-2H]- 252.006036 149.5
[M]+ 231.03082142 139.6
[M]- 231.03191858 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