CID 255968

Benzarone

Structural Information

Molecular Formula
C17H14O3
SMILES
CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
InChIKey
RFRXIWQYSOIBDI-UHFFFAOYSA-N
Compound name
(2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

41
References

86596
Patents

266.0943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 158.6
[M+Na]+ 289.08352 174.1
[M+NH4]+ 284.12812 167.3
[M+K]+ 305.05746 168.7
[M-H]- 265.08702 164.2
[M+Na-2H]- 287.06897 166.4
[M]+ 266.09375 162.6
[M]- 266.09485 162.6
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