CID 9971218

107585-77-3

Structural Information

Molecular Formula
C16H14O5
SMILES
C1C(C(=O)C2=C(C=C(C=C2O1)O)O)CC3=CC=C(C=C3)O
InChI
InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2
InChIKey
FIASLUPJXGTCKM-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

286.08414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.2
[M+Na]+ 309.07336 170.5
[M-H]- 285.07686 167.1
[M+NH4]+ 304.11796 175.8
[M+K]+ 325.04730 167.1
[M+H-H2O]+ 269.08140 155.2
[M+HCOO]- 331.08234 178.4
[M+CH3COO]- 345.09799 195.4
[M+Na-2H]- 307.05881 166.5
[M]+ 286.08359 161.6
[M]- 286.08469 161.6
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