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]+ 329.03420 168.5
[M+Na]+ 351.01614 178.4
[M-H]- 327.01964 176.4
[M+NH4]+ 346.06074 188.0
[M+K]+ 366.99008 173.1
[M+H-H2O]+ 311.02418 164.6
[M+HCOO]- 373.02512 176.8
[M+CH3COO]- 387.04077 180.1
[M+Na-2H]- 349.00159 170.6
[M]+ 328.02637 168.7
[M]- 328.02747 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.