CID 11594400

(4-chlorophenyl)-(3,5-dimethylbenzofuran-2-yl)methanone

Structural Information

Molecular Formula
C17H13ClO2
SMILES
CC1=CC2=C(C=C1)OC(=C2C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClO2/c1-10-3-8-15-14(9-10)11(2)17(20-15)16(19)12-4-6-13(18)7-5-12/h3-9H,1-2H3
InChIKey
UTDWWDUZVQMXMJ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.0604 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06768 163.1
[M+Na]+ 307.04962 175.4
[M-H]- 283.05312 172.7
[M+NH4]+ 302.09422 182.0
[M+K]+ 323.02356 170.4
[M+H-H2O]+ 267.05766 157.4
[M+HCOO]- 329.05860 182.6
[M+CH3COO]- 343.07425 177.3
[M+Na-2H]- 305.03507 167.0
[M]+ 284.05985 170.3
[M]- 284.06095 170.3
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.