CID 139596637

Baj 2740-ketohydroxy

Structural Information

Molecular Formula
C15H14Cl2O4
SMILES
C1CCC2(CC1)C(=O)C(C(=O)O2)(C3=CC(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C15H14Cl2O4/c16-10-6-9(7-11(17)8-10)15(20)12(18)14(21-13(15)19)4-2-1-3-5-14/h6-8,20H,1-5H2
InChIKey
POKDJNMKRGJHHU-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

328.02692 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.034196 168.5
[M+Na]+ 351.016138 178.4
[M-H]- 327.019644 176.4
[M+NH4]+ 346.060743 188.0
[M+K]+ 366.990078 173.1
[M+H-H2O]+ 311.024180 164.6
[M+HCOO]- 373.025121 176.8
[M+CH3COO]- 387.040771 180.1
[M+Na-2H]- 349.001586 170.6
[M]+ 328.02637142 168.7
[M]- 328.02746858 168.7
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.