CID 3047116

Semioxamazide, 5-hydroxy-1-(p-bromosulfonyl)-

Structural Information

Molecular Formula
C8H8BrN3O5S
SMILES
C1=CC(=CC=C1S(=O)(=O)NNC(=O)C(=O)NO)Br
InChI
InChI=1S/C8H8BrN3O5S/c9-5-1-3-6(4-2-5)18(16,17)12-10-7(13)8(14)11-15/h1-4,12,15H,(H,10,13)(H,11,14)
InChIKey
ZXSKQRWIPHPZNM-UHFFFAOYSA-N
Compound name
2-[2-(4-bromophenyl)sulfonylhydrazinyl]-N-hydroxy-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.9368 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.94408 150.8
[M+Na]+ 359.92602 159.2
[M-H]- 335.92952 155.3
[M+NH4]+ 354.97062 166.2
[M+K]+ 375.89996 147.0
[M+H-H2O]+ 319.93406 148.2
[M+HCOO]- 381.93500 167.2
[M+CH3COO]- 395.95065 202.7
[M+Na-2H]- 357.91147 157.2
[M]+ 336.93625 168.7
[M]- 336.93735 168.7
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.