CID 68071

Pinocembrin

Structural Information

Molecular Formula

C₁₅H₁₂O₄

SMILES

C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1

InChIKey

URFCJEUYXNAHFI-ZDUSSCGKSA-N

Compound name

(2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 370
References: 3084
Patents: 256.07355 Da
Monoisotopic Mass: 2.7
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]+	257.08083	154.0
[M+Na]+	279.06277	162.6
[M-H]-	255.06627	160.2
[M+NH4]+	274.10737	169.4
[M+K]+	295.03671	159.4
[M+H-H2O]+	239.07081	147.1
[M+HCOO]-	301.07175	172.1
[M+CH3COO]-	315.08740	166.2
[M+Na-2H]-	277.04822	160.0
[M]+	256.07300	153.0
[M]-	256.07410	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe