CID 15538187

Helmon

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3O)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)5-11-14(20)12-9(17)6-10(18)13(19)15(12)21-11/h1-6,16-19H/b11-5-
InChIKey
OBXHAWNIHMDNAA-WZUFQYTHSA-N
Compound name
(2Z)-4,6,7-trihydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

286.04773 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 159.6
[M+Na]+ 309.03695 169.8
[M-H]- 285.04045 164.3
[M+NH4]+ 304.08155 174.7
[M+K]+ 325.01089 165.7
[M+H-H2O]+ 269.04499 154.4
[M+HCOO]- 331.04593 177.2
[M+CH3COO]- 345.06158 192.0
[M+Na-2H]- 307.02240 162.0
[M]+ 286.04718 160.3
[M]- 286.04828 160.3
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