CID 139596094

Baj 2740-enol

Structural Information

Molecular Formula
C15H14Cl2O3
SMILES
C1CCC2(CC1)C(=C(C(=O)O2)C3=CC(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C15H14Cl2O3/c16-10-6-9(7-11(17)8-10)12-13(18)15(20-14(12)19)4-2-1-3-5-15/h6-8,18H,1-5H2
InChIKey
MPPMMWGYUJWQJN-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

312.032 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.03928 167.7
[M+Na]+ 335.02122 177.4
[M-H]- 311.02472 175.5
[M+NH4]+ 330.06582 186.1
[M+K]+ 350.99516 171.7
[M+H-H2O]+ 295.02926 163.0
[M+HCOO]- 357.03020 176.9
[M+CH3COO]- 371.04585 179.4
[M+Na-2H]- 333.00667 169.1
[M]+ 312.03145 168.1
[M]- 312.03255 168.1
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.