CID 367387

Nsc637076

Structural Information

Molecular Formula
C7H9N3O6S2
SMILES
CS(=O)(=O)NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O6S2/c1-17(13,14)8-9-18(15,16)7-4-2-3-6(5-7)10(11)12/h2-5,8-9H,1H3
InChIKey
WGUWWIMJVZFJBO-UHFFFAOYSA-N
Compound name
N'-methylsulfonyl-3-nitrobenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9933 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.00058 155.4
[M+Na]+ 317.98252 160.7
[M-H]- 293.98602 158.3
[M+NH4]+ 313.02712 168.5
[M+K]+ 333.95646 152.3
[M+H-H2O]+ 277.99056 152.6
[M+HCOO]- 339.99150 170.2
[M+CH3COO]- 354.00715 191.1
[M+Na-2H]- 315.96797 165.0
[M]+ 294.99275 154.7
[M]- 294.99385 154.7
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.