CID 23872096

Griseophenone b(2-)

Structural Information

Molecular Formula
C16H15ClO6
SMILES
CC1=CC(=CC(=C1C(=O)C2=C(C(=C(C=C2O)OC)Cl)O)OC)O
InChI
InChI=1S/C16H15ClO6/c1-7-4-8(18)5-10(22-2)12(7)15(20)13-9(19)6-11(23-3)14(17)16(13)21/h4-6,18-19,21H,1-3H3
InChIKey
DSJPUSRRLBBBAS-UHFFFAOYSA-N
Compound name
(3-chloro-2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.05573 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06301 173.2
[M+Na]+ 361.04495 187.3
[M+NH4]+ 356.08955 178.9
[M+K]+ 377.01889 182.5
[M-H]- 337.04845 174.7
[M+Na-2H]- 359.03040 178.0
[M]+ 338.05518 175.9
[M]- 338.05628 175.9
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.