CID 114725233

1-(5-chloro-1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula
C16H9Cl2FO2
SMILES
C1=CC(=C(C=C1F)Cl)CC(=O)C2=CC3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C16H9Cl2FO2/c17-11-2-4-15-10(5-11)7-16(21-15)14(20)6-9-1-3-12(19)8-13(9)18/h1-5,7-8H,6H2
InChIKey
FPKJSYRDZGBFMC-UHFFFAOYSA-N
Compound name
1-(5-chloro-1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.99637 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00365 168.0
[M+Na]+ 344.98559 181.1
[M-H]- 320.98909 175.4
[M+NH4]+ 340.03019 185.6
[M+K]+ 360.95953 174.6
[M+H-H2O]+ 304.99363 161.8
[M+HCOO]- 366.99457 181.5
[M+CH3COO]- 381.01022 181.1
[M+Na-2H]- 342.97104 170.9
[M]+ 321.99582 175.1
[M]- 321.99692 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.