CID 94325

1-chloro-3-phenoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

204.0342 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04148 140.6
[M+Na]+ 227.02342 157.9
[M+NH4]+ 222.06802 151.4
[M+K]+ 242.99736 148.3
[M-H]- 203.02692 146.5
[M+Na-2H]- 225.00887 152.4
[M]+ 204.03365 145.3
[M]- 204.03475 145.3
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

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