CID 54719923

148476-22-6

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: 15
Patents: 312.032 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.03928	164.4
[M+Na]+	335.02122	178.8
[M+NH4]+	330.06582	174.9
[M+K]+	350.99516	171.1
[M-H]-	311.02472	170.1
[M+Na-2H]-	333.00667	172.0
[M]+	312.03145	168.9
[M]-	312.03255	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe