CID 91820467

Griseophenone d

Structural Information

Molecular Formula
C15H14O6
SMILES
CC1=CC(=CC(=C1C(=O)C2=C(C=C(C=C2O)OC)O)O)O
InChI
InChI=1S/C15H14O6/c1-7-3-8(16)4-10(17)13(7)15(20)14-11(18)5-9(21-2)6-12(14)19/h3-6,16-19H,1-2H3
InChIKey
MHIAEHHUBPESRR-UHFFFAOYSA-N
Compound name
(2,6-dihydroxy-4-methoxyphenyl)-(2,4-dihydroxy-6-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.07904 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 161.8
[M+Na]+ 313.06826 170.9
[M-H]- 289.07176 164.8
[M+NH4]+ 308.11286 175.2
[M+K]+ 329.04220 167.6
[M+H-H2O]+ 273.07630 155.4
[M+HCOO]- 335.07724 180.0
[M+CH3COO]- 349.09289 196.0
[M+Na-2H]- 311.05371 162.2
[M]+ 290.07849 163.7
[M]- 290.07959 163.7
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.