CID 627136

Platanin

Structural Information

Molecular Formula

C₁₆H₁₂O₆

SMILES

CC1=C(C2=C(C(=C1O)O)OC(=C(C2=O)O)C3=CC=CC=C3)O

InChI

InChI=1S/C16H12O6/c1-7-10(17)9-12(19)14(21)15(8-5-3-2-4-6-8)22-16(9)13(20)11(7)18/h2-6,17-18,20-21H,1H3

InChIKey

JPYBEETXHUPGHX-UHFFFAOYSA-N

Compound name

3,5,7,8-tetrahydroxy-6-methyl-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 300.0634 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]+	301.070676	164.4
[M+Na]+	323.052618	175.7
[M-H]-	299.056124	169.6
[M+NH4]+	318.097223	177.4
[M+K]+	339.026558	172.3
[M+H-H2O]+	283.060660	157.6
[M+HCOO]-	345.061601	182.0
[M+CH3COO]-	359.077251	197.9
[M+Na-2H]-	321.038066	168.7
[M]+	300.06285142	167.2
[M]-	300.06394858	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe