CID 5282172

Ac1nqzln

Structural Information

Molecular Formula

C₆H₄Cl₂O₅

SMILES

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

InChI

InChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1+

InChIKey

PLPVRWUZGSFJJB-OWOJBTEDSA-N

Compound name

(E)-2,5-dichloro-4-oxohex-2-enedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 225.94357 Da
Monoisotopic Mass: 1.0
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]+	226.95085	139.4
[M+Na]+	248.93279	147.3
[M+NH4]+	243.97739	143.8
[M+K]+	264.90673	146.0
[M-H]-	224.93629	134.3
[M+Na-2H]-	246.91824	139.2
[M]+	225.94302	138.9
[M]-	225.94412	138.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.