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
7
Annotation Hits

41
References

67848
Patents

266.0943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 158.9
[M+Na]+ 289.083518 168.8
[M-H]- 265.087024 167.0
[M+NH4]+ 284.128123 176.5
[M+K]+ 305.057458 165.3
[M+H-H2O]+ 249.091560 152.5
[M+HCOO]- 311.092501 181.7
[M+CH3COO]- 325.108151 172.4
[M+Na-2H]- 287.068966 163.7
[M]+ 266.09375142 163.0
[M]- 266.09484858 163.0
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