CID 96670

(2-butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone

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

78
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 168.5
[M+Na]+ 317.11480 177.5
[M-H]- 293.11830 176.2
[M+NH4]+ 312.15940 185.0
[M+K]+ 333.08874 173.6
[M+H-H2O]+ 277.12284 161.7
[M+HCOO]- 339.12378 190.6
[M+CH3COO]- 353.13943 201.5
[M+Na-2H]- 315.10025 172.2
[M]+ 294.12503 173.2
[M]- 294.12613 173.2
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