CID 16075047

(4-chlorophenyl)-(6-ethyl-3-methyl-benzofuran-2-yl)methanone

Structural Information

Molecular Formula
C18H15ClO2
SMILES
CCC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C18H15ClO2/c1-3-12-4-9-15-11(2)18(21-16(15)10-12)17(20)13-5-7-14(19)8-6-13/h4-10H,3H2,1-2H3
InChIKey
NXPONFBDCVHCTK-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(6-ethyl-3-methyl-1-benzofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.07605 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08333 168.1
[M+Na]+ 321.06527 179.9
[M-H]- 297.06877 177.4
[M+NH4]+ 316.10987 186.4
[M+K]+ 337.03921 174.6
[M+H-H2O]+ 281.07331 162.1
[M+HCOO]- 343.07425 187.1
[M+CH3COO]- 357.08990 181.8
[M+Na-2H]- 319.05072 171.3
[M]+ 298.07550 175.5
[M]- 298.07660 175.5
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

No patent data available for this compound.