CID 344532

4,4'-flavandiol

Structural Information

Molecular Formula
C15H14O3
SMILES
C1C(C2=CC=CC=C2OC1C3=CC=C(C=C3)O)O
InChI
InChI=1S/C15H14O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,13,15-17H,9H2
InChIKey
VIWWLMUBPMSXTF-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

242.0943 Da
Monoisotopic Mass

2.3
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