CID 441650

Lmpk12130044

Structural Information

Molecular Formula
C15H10O7
SMILES
C1=C(C=C(C(=C1O)O)O)C=C2C(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C15H10O7/c16-7-4-8(17)13-11(5-7)22-12(15(13)21)3-6-1-9(18)14(20)10(19)2-6/h1-5,16-20H
InChIKey
ACAAVKGSTVOIQB-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

302.04266 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04994 162.8
[M+Na]+ 325.03188 173.0
[M-H]- 301.03538 166.4
[M+NH4]+ 320.07648 176.6
[M+K]+ 341.00582 169.0
[M+H-H2O]+ 285.03992 157.7
[M+HCOO]- 347.04086 178.9
[M+CH3COO]- 361.05651 193.9
[M+Na-2H]- 323.01733 164.3
[M]+ 302.04211 163.6
[M]- 302.04321 163.6
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