CID 3875846

4-methyl-3-nitrobenzene-1-sulfonohydrazide

Structural Information

Molecular Formula
C7H9N3O4S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NN)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O4S/c1-5-2-3-6(15(13,14)9-8)4-7(5)10(11)12/h2-4,9H,8H2,1H3
InChIKey
GNPGZKATRFZRMU-UHFFFAOYSA-N
Compound name
4-methyl-3-nitrobenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.03137 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03865 141.6
[M+Na]+ 254.02059 148.6
[M-H]- 230.02409 145.2
[M+NH4]+ 249.06519 158.1
[M+K]+ 269.99453 141.6
[M+H-H2O]+ 214.02863 139.7
[M+HCOO]- 276.02957 162.8
[M+CH3COO]- 290.04522 184.1
[M+Na-2H]- 252.00604 148.9
[M]+ 231.03082 139.9
[M]- 231.03192 139.9
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.