CID 9838356

Dihydrogenistein

Structural Information

Molecular Formula
C15H12O5
SMILES
C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
InChIKey
UQGVUYNHDKMLSE-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

36
References

400
Patents

272.06848 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 157.5
[M+Na]+ 295.05770 166.3
[M-H]- 271.06120 162.7
[M+NH4]+ 290.10230 171.7
[M+K]+ 311.03164 163.1
[M+H-H2O]+ 255.06574 150.7
[M+HCOO]- 317.06668 174.1
[M+CH3COO]- 331.08233 192.4
[M+Na-2H]- 293.04315 162.4
[M]+ 272.06793 156.7
[M]- 272.06903 156.7
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