CID 2757749

1-(4-(4-chlorophenoxy)phenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

246.04475 Da
Monoisotopic Mass

3.8
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

literature stripe

Patent stripe

patents stripe