CID 14797582

1-[3-(4-chlorophenoxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C14H11ClO2
SMILES
CC(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11ClO2/c1-10(16)11-3-2-4-14(9-11)17-13-7-5-12(15)6-8-13/h2-9H,1H3
InChIKey
LUTIDQLOGNSFIC-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.04475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.052026 150.8
[M+Na]+ 269.033968 160.1
[M-H]- 245.037474 157.9
[M+NH4]+ 264.078573 169.1
[M+K]+ 285.007908 155.4
[M+H-H2O]+ 229.042010 144.6
[M+HCOO]- 291.042951 170.4
[M+CH3COO]- 305.058601 192.1
[M+Na-2H]- 267.019416 155.9
[M]+ 246.04420142 154.5
[M]- 246.04529858 154.5
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