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 169.6
[M+Na]+ 361.04495 180.4
[M-H]- 337.04845 174.1
[M+NH4]+ 356.08955 183.1
[M+K]+ 377.01889 176.2
[M+H-H2O]+ 321.05299 164.1
[M+HCOO]- 383.05393 184.7
[M+CH3COO]- 397.06958 206.1
[M+Na-2H]- 359.03040 169.2
[M]+ 338.05518 176.4
[M]- 338.05628 176.4
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.