CID 6476399

Schembl7164356

Structural Information

Molecular Formula
C12H8Cl2O5
SMILES
C1=CC(=C(C=C1Cl)C(=O)CC(=O)/C=C(/C(=O)O)\O)Cl
InChI
InChI=1S/C12H8Cl2O5/c13-6-1-2-9(14)8(3-6)10(16)4-7(15)5-11(17)12(18)19/h1-3,5,17H,4H2,(H,18,19)/b11-5-
InChIKey
JQOGNNFYYYIXLF-WZUFQYTHSA-N
Compound name
(Z)-6-(2,5-dichlorophenyl)-2-hydroxy-4,6-dioxohex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.97488 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.98216 154.6
[M+Na]+ 324.96410 162.9
[M-H]- 300.96760 155.7
[M+NH4]+ 320.00870 169.7
[M+K]+ 340.93804 157.7
[M+H-H2O]+ 284.97214 151.6
[M+HCOO]- 346.97308 164.1
[M+CH3COO]- 360.98873 195.9
[M+Na-2H]- 322.94955 153.8
[M]+ 301.97433 158.1
[M]- 301.97543 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe