CID 373422

Nsc649753

Structural Information

Molecular Formula
C7H9BrN2O4S2
SMILES
CS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C7H9BrN2O4S2/c1-15(11,12)9-10-16(13,14)7-4-2-6(8)3-5-7/h2-5,9-10H,1H3
InChIKey
CKTMOODLJXHTJR-UHFFFAOYSA-N
Compound name
4-bromo-N'-methylsulfonylbenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.9187 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.92598 143.8
[M+Na]+ 350.90792 155.2
[M-H]- 326.91142 149.6
[M+NH4]+ 345.95252 161.1
[M+K]+ 366.88186 141.2
[M+H-H2O]+ 310.91596 142.7
[M+HCOO]- 372.91690 156.2
[M+CH3COO]- 386.93255 199.9
[M+Na-2H]- 348.89337 152.5
[M]+ 327.91815 164.0
[M]- 327.91925 164.0
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.