CID 156619973

2-chloro-6-(prop-2-yn-1-yloxy)quinoline

Structural Information

Molecular Formula
C12H8ClNO
SMILES
C#CCOC1=CC2=C(C=C1)N=C(C=C2)Cl
InChI
InChI=1S/C12H8ClNO/c1-2-7-15-10-4-5-11-9(8-10)3-6-12(13)14-11/h1,3-6,8H,7H2
InChIKey
OCWUSKLNSAALRI-UHFFFAOYSA-N
Compound name
2-chloro-6-prop-2-ynoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.02943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.036706 144.2
[M+Na]+ 240.018648 157.3
[M-H]- 216.022154 145.6
[M+NH4]+ 235.063253 161.4
[M+K]+ 255.992588 149.5
[M+H-H2O]+ 200.026690 132.2
[M+HCOO]- 262.027631 156.8
[M+CH3COO]- 276.043281 155.9
[M+Na-2H]- 238.004096 150.9
[M]+ 217.02888142 142.1
[M]- 217.02997858 142.1
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

No patent data available for this compound.