CID 442768

Dalbergin

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O
InChI
InChI=1S/C16H12O4/c1-19-15-9-14-12(7-13(15)17)11(8-16(18)20-14)10-5-3-2-4-6-10/h2-9,17H,1H3
InChIKey
AZELSOYQOIUPBZ-UHFFFAOYSA-N
Compound name
6-hydroxy-7-methoxy-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

543
Patents

268.07355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 156.9
[M+Na]+ 291.06277 174.1
[M+NH4]+ 286.10737 165.6
[M+K]+ 307.03671 166.6
[M-H]- 267.06627 163.1
[M+Na-2H]- 289.04822 165.8
[M]+ 268.07300 161.4
[M]- 268.07410 161.4
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