CID 19422231

141580-95-2

Structural Information

Molecular Formula
C14H9ClO
SMILES
C#CC1=CC(=CC=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H9ClO/c1-2-11-4-3-5-14(10-11)16-13-8-6-12(15)7-9-13/h1,3-10H
InChIKey
RAZLGBOBIBNHDQ-UHFFFAOYSA-N
Compound name
1-chloro-4-(3-ethynylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

228.0342 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04148 150.3
[M+Na]+ 251.02342 162.9
[M-H]- 227.02692 155.0
[M+NH4]+ 246.06802 167.2
[M+K]+ 266.99736 154.6
[M+H-H2O]+ 211.03146 138.4
[M+HCOO]- 273.03240 165.0
[M+CH3COO]- 287.04805 162.1
[M+Na-2H]- 249.00887 155.2
[M]+ 228.03365 147.3
[M]- 228.03475 147.3
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