CID 81876

7392-62-3

Structural Information

Molecular Formula

C₁₄H₁₂O₅

SMILES

COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O)O

InChI

InChI=1S/C14H12O5/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,15-17H,1H3

InChIKey

YLQYOUPUVFQNLO-UHFFFAOYSA-N

Compound name

(2,4-dihydroxyphenyl)-(2-hydroxy-4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 58
Patents: 260.06848 Da
Monoisotopic Mass: 2.9
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]+	261.075756	154.6
[M+Na]+	283.057698	163.1
[M-H]-	259.061204	158.4
[M+NH4]+	278.102303	169.5
[M+K]+	299.031638	159.8
[M+H-H2O]+	243.065740	148.0
[M+HCOO]-	305.066681	174.6
[M+CH3COO]-	319.082331	190.1
[M+Na-2H]-	281.043146	157.4
[M]+	260.06793142	155.6
[M]-	260.06902858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe