CID 6435786

(z)-2-butenedioic acid mono(2-((4-bromophenyl)sulfonyl)hydrazide)

Structural Information

Molecular Formula
C10H9BrN2O5S
SMILES
C1=CC(=CC=C1S(=O)(=O)NNC(=O)/C=C\C(=O)O)Br
InChI
InChI=1S/C10H9BrN2O5S/c11-7-1-3-8(4-2-7)19(17,18)13-12-9(14)5-6-10(15)16/h1-6,13H,(H,12,14)(H,15,16)/b6-5-
InChIKey
JDYCCSGUYVAKTE-WAYWQWQTSA-N
Compound name
(Z)-4-[2-(4-bromophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.94156 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.94884 155.9
[M+Na]+ 370.93078 164.8
[M-H]- 346.93428 160.3
[M+NH4]+ 365.97538 171.3
[M+K]+ 386.90472 151.9
[M+H-H2O]+ 330.93882 154.1
[M+HCOO]- 392.93976 171.1
[M+CH3COO]- 406.95541 203.0
[M+Na-2H]- 368.91623 161.0
[M]+ 347.94101 174.9
[M]- 347.94211 174.9
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.