CID 677479

1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone

Structural Information

Molecular Formula
C14H10Cl2O2
SMILES
CC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,1H3
InChIKey
BDTJIVUVQRVLLJ-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

100
Patents

280.0058 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.013076 156.0
[M+Na]+ 302.995018 166.5
[M-H]- 278.998524 162.6
[M+NH4]+ 298.039623 173.6
[M+K]+ 318.968958 160.6
[M+H-H2O]+ 263.003060 150.6
[M+HCOO]- 325.004001 170.4
[M+CH3COO]- 339.019651 197.7
[M+Na-2H]- 300.980466 159.6
[M]+ 280.00525142 161.3
[M]- 280.00634858 161.3
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

patents stripe