CID 442413

7-hydroxyflavan

Structural Information

Molecular Formula
C15H14O2
SMILES
C1CC2=C(C=C(C=C2)O)O[C@@H]1C3=CC=CC=C3
InChI
InChI=1S/C15H14O2/c16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11/h1-6,8,10,14,16H,7,9H2/t14-/m0/s1
InChIKey
KFUMHIDDQQILEL-AWEZNQCLSA-N
Compound name
(2S)-2-phenyl-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

226.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 148.2
[M+Na]+ 249.08860 155.4
[M-H]- 225.09210 155.0
[M+NH4]+ 244.13320 165.2
[M+K]+ 265.06254 152.2
[M+H-H2O]+ 209.09664 141.1
[M+HCOO]- 271.09758 167.3
[M+CH3COO]- 285.11323 160.6
[M+Na-2H]- 247.07405 155.9
[M]+ 226.09883 146.0
[M]- 226.09993 146.0
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