CID 77792

4143-72-0

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H14O4/c1-20-12-8-6-11(7-9-12)15(18)10-16(19)13-4-2-3-5-14(13)17/h2-9,17H,10H2,1H3
InChIKey
POADMRQYSLLTGQ-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

24
Patents

270.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 159.5
[M+Na]+ 293.078418 166.3
[M-H]- 269.081924 165.0
[M+NH4]+ 288.123023 174.7
[M+K]+ 309.052358 163.4
[M+H-H2O]+ 253.086460 152.0
[M+HCOO]- 315.087401 180.9
[M+CH3COO]- 329.103051 196.1
[M+Na-2H]- 291.063866 162.3
[M]+ 270.08865142 161.3
[M]- 270.08974858 161.3
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