CID 6435787

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

Structural Information

Molecular Formula
C10H9N3O7S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H9N3O7S/c14-9(5-6-10(15)16)11-12-21(19,20)8-3-1-7(2-4-8)13(17)18/h1-6,12H,(H,11,14)(H,15,16)/b6-5-
InChIKey
MTIHITZRXHTVGU-WAYWQWQTSA-N
Compound name
(Z)-4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0161 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.02338 160.5
[M+Na]+ 338.00532 164.2
[M-H]- 314.00882 162.3
[M+NH4]+ 333.04992 172.0
[M+K]+ 353.97926 157.2
[M+H-H2O]+ 298.01336 157.7
[M+HCOO]- 360.01430 178.9
[M+CH3COO]- 374.02995 194.0
[M+Na-2H]- 335.99077 166.7
[M]+ 315.01555 159.0
[M]- 315.01665 159.0
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.