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
3
Annotation Hits

2
References

0
Patents

225.94357 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.950846 134.5
[M+Na]+ 248.932788 142.2
[M-H]- 224.936294 132.3
[M+NH4]+ 243.977393 152.2
[M+K]+ 264.906728 138.7
[M+H-H2O]+ 208.940830 133.1
[M+HCOO]- 270.941771 143.6
[M+CH3COO]- 284.957421 181.1
[M+Na-2H]- 246.918236 134.3
[M]+ 225.94302142 136.4
[M]- 225.94411858 136.4
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.