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

4
Patents

246.04475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05203 150.8
[M+Na]+ 269.03397 160.1
[M-H]- 245.03747 157.9
[M+NH4]+ 264.07857 169.1
[M+K]+ 285.00791 155.4
[M+H-H2O]+ 229.04201 144.6
[M+HCOO]- 291.04295 170.4
[M+CH3COO]- 305.05860 192.1
[M+Na-2H]- 267.01942 155.9
[M]+ 246.04420 154.5
[M]- 246.04530 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