CID 5893800

1,5-bis(3-hydroxyphenyl)penta-1,4-dien-3-one

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC(=CC(=C1)O)/C=C/C(=O)/C=C/C2=CC(=CC=C2)O
InChI
InChI=1S/C17H14O3/c18-15(9-7-13-3-1-5-16(19)11-13)10-8-14-4-2-6-17(20)12-14/h1-12,19-20H/b9-7+,10-8+
InChIKey
WOHFCBMZGVNRBL-FIFLTTCUSA-N
Compound name
(1E,4E)-1,5-bis(3-hydroxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

93
Patents

266.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 160.8
[M+Na]+ 289.08352 167.7
[M-H]- 265.08702 164.8
[M+NH4]+ 284.12812 175.8
[M+K]+ 305.05746 161.8
[M+H-H2O]+ 249.09156 153.7
[M+HCOO]- 311.09250 181.4
[M+CH3COO]- 325.10815 191.6
[M+Na-2H]- 287.06897 163.7
[M]+ 266.09375 159.4
[M]- 266.09485 159.4
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