CID 23436

4-chlorodiphenyl ether

Structural Information

Molecular Formula
C12H9ClO
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
PGPNJCAMHOJTEF-UHFFFAOYSA-N
Compound name
1-chloro-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

1440
Patents

204.0342 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04148 139.9
[M+Na]+ 227.02342 149.2
[M-H]- 203.02692 146.7
[M+NH4]+ 222.06802 159.7
[M+K]+ 242.99736 144.5
[M+H-H2O]+ 187.03146 133.9
[M+HCOO]- 249.03240 160.7
[M+CH3COO]- 263.04805 154.0
[M+Na-2H]- 225.00887 148.0
[M]+ 204.03365 142.3
[M]- 204.03475 142.3
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