CID 1890

7-hydroxyflavanone

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2

InChIKey

SWAJPHCXKPCPQZ-UHFFFAOYSA-N

Compound name

7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 47
References: 866
Patents: 240.07864 Da
Monoisotopic Mass: 2.5
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]+	241.085916	150.5
[M+Na]+	263.067858	158.7
[M-H]-	239.071364	157.7
[M+NH4]+	258.112463	167.0
[M+K]+	279.041798	155.6
[M+H-H2O]+	223.075900	143.3
[M+HCOO]-	285.076841	169.9
[M+CH3COO]-	299.092491	163.1
[M+Na-2H]-	261.053306	157.5
[M]+	240.07809142	149.4
[M]-	240.07918858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe