CID 64207853

2-chloro-6-(2,2,2-trifluoroethoxy)quinoline

Structural Information

Molecular Formula
C11H7ClF3NO
SMILES
C1=CC2=C(C=CC(=N2)Cl)C=C1OCC(F)(F)F
InChI
InChI=1S/C11H7ClF3NO/c12-10-4-1-7-5-8(2-3-9(7)16-10)17-6-11(13,14)15/h1-5H,6H2
InChIKey
HMMOIOCOMKHNDY-UHFFFAOYSA-N
Compound name
2-chloro-6-(2,2,2-trifluoroethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0168 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02408 149.5
[M+Na]+ 284.00602 160.9
[M-H]- 260.00952 149.1
[M+NH4]+ 279.05062 167.3
[M+K]+ 299.97996 155.3
[M+H-H2O]+ 244.01406 140.9
[M+HCOO]- 306.01500 162.8
[M+CH3COO]- 320.03065 193.4
[M+Na-2H]- 281.99147 156.9
[M]+ 261.01625 149.8
[M]- 261.01735 149.8
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.