CID 11983277

(z)-6-(3,4-dichlorophenyl)-2-hydroxy-4-oxo-hex-2-enoic acid

Structural Information

Molecular Formula
C12H10Cl2O4
SMILES
C1=CC(=C(C=C1CCC(=O)/C=C(/C(=O)O)\O)Cl)Cl
InChI
InChI=1S/C12H10Cl2O4/c13-9-4-2-7(5-10(9)14)1-3-8(15)6-11(16)12(17)18/h2,4-6,16H,1,3H2,(H,17,18)/b11-6-
InChIKey
ZOKKMTGQTGJMHI-WDZFZDKYSA-N
Compound name
(Z)-6-(3,4-dichlorophenyl)-2-hydroxy-4-oxohex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.9956 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.00288 154.9
[M+Na]+ 310.98482 163.2
[M-H]- 286.98832 155.7
[M+NH4]+ 306.02942 170.6
[M+K]+ 326.95876 157.3
[M+H-H2O]+ 270.99286 151.7
[M+HCOO]- 332.99380 164.8
[M+CH3COO]- 347.00945 193.6
[M+Na-2H]- 308.97027 154.9
[M]+ 287.99505 158.1
[M]- 287.99615 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

literature stripe

Patent stripe

No patent data available for this compound.