CID 6435795

(e)-2-butenedioic acid mono(2-((4-methylphenyl)sulfonyl)hydrazide)

Structural Information

Molecular Formula
C11H12N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C/C(=O)O
InChI
InChI=1S/C11H12N2O5S/c1-8-2-4-9(5-3-8)19(17,18)13-12-10(14)6-7-11(15)16/h2-7,13H,1H3,(H,12,14)(H,15,16)/b7-6+
InChIKey
XHKFPRCRLKLYBH-VOTSOKGWSA-N
Compound name
(E)-4-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0467 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05398 160.1
[M+Na]+ 307.03592 165.7
[M-H]- 283.03942 162.1
[M+NH4]+ 302.08052 174.4
[M+K]+ 323.00986 162.3
[M+H-H2O]+ 267.04396 153.3
[M+HCOO]- 329.04490 177.3
[M+CH3COO]- 343.06055 197.0
[M+Na-2H]- 305.02137 162.9
[M]+ 284.04615 161.3
[M]- 284.04725 161.3
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.