CID 23757122

Griseophenone c

Structural Information

Molecular Formula
C16H16O6
SMILES
CC1=CC(=CC(=C1C(=O)C2=C(C=C(C=C2O)OC)O)OC)O
InChI
InChI=1S/C16H16O6/c1-8-4-9(17)5-13(22-3)14(8)16(20)15-11(18)6-10(21-2)7-12(15)19/h4-7,17-19H,1-3H3
InChIKey
XZDCIORWACLZKX-UHFFFAOYSA-N
Compound name
(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1
Patents

304.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.101976 165.7
[M+Na]+ 327.083918 174.7
[M-H]- 303.087424 169.8
[M+NH4]+ 322.128523 179.2
[M+K]+ 343.057858 172.1
[M+H-H2O]+ 287.091960 158.8
[M+HCOO]- 349.092901 185.1
[M+CH3COO]- 363.108551 201.1
[M+Na-2H]- 325.069366 166.1
[M]+ 304.09415142 169.7
[M]- 304.09524858 169.7
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

patents stripe