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]+ 210.955946 134.0
[M+Na]+ 232.937888 142.0
[M-H]- 208.941394 131.7
[M+NH4]+ 227.982493 152.5
[M+K]+ 248.911828 137.5
[M+H-H2O]+ 192.945930 132.5
[M+HCOO]- 254.946871 143.7
[M+CH3COO]- 268.962521 177.3
[M+Na-2H]- 230.923336 134.7
[M]+ 209.94812142 134.8
[M]- 209.94921858 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.