CID 89472

O-desmethylangolensin

Structural Information

Molecular Formula
C15H14O4
SMILES
CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3
InChIKey
JDJPNKPFDDUBFV-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

54
References

395
Patents

258.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.6
[M+Na]+ 281.07842 163.6
[M-H]- 257.08192 159.9
[M+NH4]+ 276.12302 171.2
[M+K]+ 297.05236 159.9
[M+H-H2O]+ 241.08646 150.0
[M+HCOO]- 303.08740 175.1
[M+CH3COO]- 317.10305 190.5
[M+Na-2H]- 279.06387 158.2
[M]+ 258.08865 155.4
[M]- 258.08975 155.4
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