CID 139597739

Baj 2740-dihydroxy

Structural Information

Molecular Formula
C15H16Cl2O4
SMILES
C1CCC2(CC1)C(C(C(=O)O2)(C3=CC(=CC(=C3)Cl)Cl)O)O
InChI
InChI=1S/C15H16Cl2O4/c16-10-6-9(7-11(17)8-10)15(20)12(18)14(21-13(15)19)4-2-1-3-5-14/h6-8,12,18,20H,1-5H2
InChIKey
WTJQXERJRBGRBO-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-3,4-dihydroxy-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

330.04257 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.049846 169.5
[M+Na]+ 353.031788 178.7
[M-H]- 329.035294 176.0
[M+NH4]+ 348.076393 188.3
[M+K]+ 369.005728 173.2
[M+H-H2O]+ 313.039830 165.9
[M+HCOO]- 375.040771 176.1
[M+CH3COO]- 389.056421 180.4
[M+Na-2H]- 351.017236 171.3
[M]+ 330.04202142 168.7
[M]- 330.04311858 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.