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]+ 331.04985 169.5
[M+Na]+ 353.03179 178.7
[M-H]- 329.03529 176.0
[M+NH4]+ 348.07639 188.3
[M+K]+ 369.00573 173.2
[M+H-H2O]+ 313.03983 165.9
[M+HCOO]- 375.04077 176.1
[M+CH3COO]- 389.05642 180.4
[M+Na-2H]- 351.01724 171.3
[M]+ 330.04202 168.7
[M]- 330.04312 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.