CID 96670

52490-15-0

Structural Information

Molecular Formula
C19H18O3
SMILES
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
InChIKey
ZHGKQUXXASLVQQ-UHFFFAOYSA-N
Compound name
(2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

71
Patents

294.12558 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 167.9
[M+Na]+ 317.11480 183.0
[M+NH4]+ 312.15940 176.3
[M+K]+ 333.08874 177.1
[M-H]- 293.11830 173.4
[M+Na-2H]- 315.10025 175.1
[M]+ 294.12503 171.8
[M]- 294.12613 171.8
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