CID 139594738

Baj 2740-lactide

Structural Information

Molecular Formula
C15H14Cl2O4
SMILES
C1CCC2(CC1)C(=O)OC(C(=O)O2)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C15H14Cl2O4/c16-10-6-9(7-11(17)8-10)12-13(18)21-15(14(19)20-12)4-2-1-3-5-15/h6-8,12H,1-5H2
InChIKey
DKCSQPHOAJZPIY-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-1,4-dioxaspiro[5.5]undecane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

328.02692 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.03420 169.8
[M+Na]+ 351.01614 178.2
[M-H]- 327.01964 178.8
[M+NH4]+ 346.06074 184.7
[M+K]+ 366.99008 175.2
[M+H-H2O]+ 311.02418 163.8
[M+HCOO]- 373.02512 176.3
[M+CH3COO]- 387.04077 180.8
[M+Na-2H]- 349.00159 173.0
[M]+ 328.02637 169.9
[M]- 328.02747 169.9
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.