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
2
Annotation Hits

0
References

104
Patents

280.0058 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01308 156.0
[M+Na]+ 302.99502 166.5
[M-H]- 278.99852 162.6
[M+NH4]+ 298.03962 173.6
[M+K]+ 318.96896 160.6
[M+H-H2O]+ 263.00306 150.6
[M+HCOO]- 325.00400 170.4
[M+CH3COO]- 339.01965 197.7
[M+Na-2H]- 300.98047 159.6
[M]+ 280.00525 161.3
[M]- 280.00635 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