CID 334053

4-chloro-1-isoquinolinyl phenyl ether

Structural Information

Molecular Formula
C15H10ClNO
SMILES
C1=CC=C(C=C1)OC2=NC=C(C3=CC=CC=C32)Cl
InChI
InChI=1S/C15H10ClNO/c16-14-10-17-15(13-9-5-4-8-12(13)14)18-11-6-2-1-3-7-11/h1-10H
InChIKey
KVYWDUOQRAUGBV-UHFFFAOYSA-N
Compound name
4-chloro-1-phenoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.04509 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05237 153.6
[M+Na]+ 278.03431 163.9
[M-H]- 254.03781 159.9
[M+NH4]+ 273.07891 171.0
[M+K]+ 294.00825 157.7
[M+H-H2O]+ 238.04235 145.6
[M+HCOO]- 300.04329 171.7
[M+CH3COO]- 314.05894 166.5
[M+Na-2H]- 276.01976 162.4
[M]+ 255.04454 156.6
[M]- 255.04564 156.6
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

No patent data available for this compound.