CID 23872096

Griseophenone b

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	339.063006	169.6
[M+Na]+	361.044948	180.4
[M-H]-	337.048454	174.1
[M+NH4]+	356.089553	183.1
[M+K]+	377.018888	176.2
[M+H-H2O]+	321.052990	164.1
[M+HCOO]-	383.053931	184.7
[M+CH3COO]-	397.069581	206.1
[M+Na-2H]-	359.030396	169.2
[M]+	338.05518142	176.4
[M]-	338.05627858	176.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.