CID 90262

4-chloro-8-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H5ClF3N
SMILES
C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C10H5ClF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H
InChIKey
LINGICLAECZKAW-UHFFFAOYSA-N
Compound name
4-chloro-8-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

201
Patents

231.00626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01354 144.4
[M+Na]+ 253.99548 156.9
[M+NH4]+ 249.04008 151.7
[M+K]+ 269.96942 149.9
[M-H]- 229.99898 142.7
[M+Na-2H]- 251.98093 150.6
[M]+ 231.00571 145.9
[M]- 231.00681 145.9
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

patents stripe