CID 158280

7,4'-dihydroxyflavan

Structural Information

Molecular Formula
C15H14O3
SMILES
C1CC2=C(C=C(C=C2)O)O[C@@H]1C3=CC=C(C=C3)O
InChI
InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m0/s1
InChIKey
YXMLGIGHGPSEKA-AWEZNQCLSA-N
Compound name
(2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

242.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 151.9
[M+Na]+ 265.08352 159.4
[M-H]- 241.08702 157.7
[M+NH4]+ 260.12812 167.8
[M+K]+ 281.05746 156.1
[M+H-H2O]+ 225.09156 145.0
[M+HCOO]- 287.09250 169.6
[M+CH3COO]- 301.10815 163.8
[M+Na-2H]- 263.06897 158.5
[M]+ 242.09375 149.8
[M]- 242.09485 149.8
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