CID 219100

Phenoxodiol

Structural Information

Molecular Formula
C15H12O3
SMILES
C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2
InChIKey
ZZUBHVMHNVYXRR-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

65
References

4238
Patents

240.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 150.8
[M+Na]+ 263.06786 159.3
[M-H]- 239.07136 157.0
[M+NH4]+ 258.11246 166.8
[M+K]+ 279.04180 155.8
[M+H-H2O]+ 223.07590 143.8
[M+HCOO]- 285.07684 169.9
[M+CH3COO]- 299.09249 163.2
[M+Na-2H]- 261.05331 158.3
[M]+ 240.07809 150.0
[M]- 240.07919 150.0
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