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]+ 226.95085 134.5
[M+Na]+ 248.93279 142.2
[M-H]- 224.93629 132.3
[M+NH4]+ 243.97739 152.2
[M+K]+ 264.90673 138.7
[M+H-H2O]+ 208.94083 133.1
[M+HCOO]- 270.94177 143.6
[M+CH3COO]- 284.95742 181.1
[M+Na-2H]- 246.91824 134.3
[M]+ 225.94302 136.4
[M]- 225.94412 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.