CID 21596130

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

Structural Information

Molecular Formula
C15H12O6
SMILES
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2
InChIKey
QBLQLKNOKUHRCH-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

40
Patents

288.0634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.070676 161.0
[M+Na]+ 311.052618 169.9
[M-H]- 287.056124 165.1
[M+NH4]+ 306.097223 174.0
[M+K]+ 327.026558 166.8
[M+H-H2O]+ 271.060660 154.3
[M+HCOO]- 333.061601 176.1
[M+CH3COO]- 347.077251 194.1
[M+Na-2H]- 309.038066 164.8
[M]+ 288.06285142 160.3
[M]- 288.06394858 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