CID 108852

2,2-dichloro-1-(4-phenoxyphenyl)ethanone

Structural Information

Molecular Formula
C14H10Cl2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(Cl)Cl
InChI
InChI=1S/C14H10Cl2O2/c15-14(16)13(17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11/h1-9,14H
InChIKey
JHGGYGMFCRSWIZ-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-(4-phenoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4230
Patents

280.0058 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01308 158.0
[M+Na]+ 302.99502 174.1
[M+NH4]+ 298.03962 167.4
[M+K]+ 318.96896 165.5
[M-H]- 278.99852 162.4
[M+Na-2H]- 300.98047 167.8
[M]+ 280.00525 162.3
[M]- 280.00635 162.3
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

patents stripe