CID 5282170

2,3,5-trichloro-cis,cis-muconate

Structural Information

Molecular Formula
C6H3Cl3O4
SMILES
C(=C(\C(=O)O)/Cl)\C(=C(/C(=O)O)\Cl)\Cl
InChI
InChI=1S/C6H3Cl3O4/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1H,(H,10,11)(H,12,13)/b3-1+,4-2-
InChIKey
AHDWVTPNJCBFTN-TZFCGSKZSA-N
Compound name
(2Z,4E)-2,3,5-trichlorohexa-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

243.9097 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.91698 143.4
[M+Na]+ 266.89892 152.1
[M+NH4]+ 261.94352 148.3
[M+K]+ 282.87286 149.5
[M-H]- 242.90242 138.7
[M+Na-2H]- 264.88437 143.7
[M]+ 243.90915 143.5
[M]- 243.91025 143.5
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.