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]+ 218.03671 144.2
[M+Na]+ 240.01865 157.3
[M-H]- 216.02215 145.6
[M+NH4]+ 235.06325 161.4
[M+K]+ 255.99259 149.5
[M+H-H2O]+ 200.02669 132.2
[M+HCOO]- 262.02763 156.8
[M+CH3COO]- 276.04328 155.9
[M+Na-2H]- 238.00410 150.9
[M]+ 217.02888 142.1
[M]- 217.02998 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.