CID 5316291

Dalbergichromene

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

COC1=C(C=C2C(=CCOC2=C1)C3=CC=CC=C3)O

InChI

InChI=1S/C16H14O3/c1-18-16-10-15-13(9-14(16)17)12(7-8-19-15)11-5-3-2-4-6-11/h2-7,9-10,17H,8H2,1H3

InChIKey

WZIKSEWGSSYQHA-UHFFFAOYSA-N

Compound name

7-methoxy-4-phenyl-2H-chromen-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 344
Patents: 254.0943 Da
Monoisotopic Mass: 3.0
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]+	255.10158	155.3
[M+Na]+	277.08352	163.8
[M-H]-	253.08702	162.6
[M+NH4]+	272.12812	171.4
[M+K]+	293.05746	160.9
[M+H-H2O]+	237.09156	147.8
[M+HCOO]-	299.09250	175.6
[M+CH3COO]-	313.10815	167.9
[M+Na-2H]-	275.06897	162.6
[M]+	254.09375	156.6
[M]-	254.09485	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe