CID 54719923

3-(2,4-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one

Structural Information

Molecular Formula
C15H14Cl2O3
SMILES
C1CCC2(CC1)C(=C(C(=O)O2)C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C15H14Cl2O3/c16-9-4-5-10(11(17)8-9)12-13(18)15(20-14(12)19)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7H2
InChIKey
KIKARNYYJSEROI-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

patents stripe