CID 5280635

2,4-dichloro-cis,cis-muconic acid

Structural Information

Molecular Formula

C₆H₄Cl₂O₄

SMILES

C(=C(\C=C(/C(=O)O)\Cl)/Cl)\C(=O)O

InChI

InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-2+,4-1+

InChIKey

FHXOPKKNGKBBKG-DXLKSGPOSA-N

Compound name

(2E,4E)-2,4-dichlorohexa-2,4-dienedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1
Patents: 209.94867 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.95595	137.6
[M+Na]+	232.93789	146.4
[M+NH4]+	227.98249	142.7
[M+K]+	248.91183	143.6
[M-H]-	208.94139	133.2
[M+Na-2H]-	230.92334	138.1
[M]+	209.94812	137.5
[M]-	209.94922	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe