CID 76865

3343-80-4

Structural Information

Molecular Formula
C18H16O3
SMILES
CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16O3/c1-3-15-17(14-6-4-5-7-16(14)21-15)18(19)12-8-10-13(20-2)11-9-12/h4-11H,3H2,1-2H3
InChIKey
TTXQKBMNVDJBPZ-UHFFFAOYSA-N
Compound name
(2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
Patents

280.10995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 163.5
[M+Na]+ 303.09917 173.4
[M-H]- 279.10267 172.8
[M+NH4]+ 298.14377 181.2
[M+K]+ 319.07311 170.6
[M+H-H2O]+ 263.10721 156.6
[M+HCOO]- 325.10815 187.4
[M+CH3COO]- 339.12380 200.9
[M+Na-2H]- 301.08462 168.1
[M]+ 280.10940 169.7
[M]- 280.11050 169.7
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