CID 25244169

(2z,4z)-2,3-dichloromuconate(2-)

Structural Information

Molecular Formula
C6H4Cl2O4
SMILES
C(=C\C(=O)O)\C(=C(/C(=O)O)\Cl)\Cl
InChI
InChI=1S/C6H4Cl2O4/c7-3(1-2-4(9)10)5(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b2-1-,5-3-
InChIKey
SOSGLWHQVQUMLM-NWJCXACMSA-N
Compound name
(2Z,4Z)-2,3-dichlorohexa-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

209.94867 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95595 134.0
[M+Na]+ 232.93789 142.0
[M-H]- 208.94139 131.7
[M+NH4]+ 227.98249 152.5
[M+K]+ 248.91183 137.5
[M+H-H2O]+ 192.94593 132.5
[M+HCOO]- 254.94687 143.7
[M+CH3COO]- 268.96252 177.3
[M+Na-2H]- 230.92334 134.7
[M]+ 209.94812 134.8
[M]- 209.94922 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.