CID 2782912

2-chloro-4-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H5ClF3N
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(F)(F)F
InChI
InChI=1S/C10H5ClF3N/c11-9-5-7(10(12,13)14)6-3-1-2-4-8(6)15-9/h1-5H
InChIKey
FNDXRWXUIYHEDU-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

231.00626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01354 141.5
[M+Na]+ 253.99548 153.4
[M-H]- 229.99898 141.2
[M+NH4]+ 249.04008 160.5
[M+K]+ 269.96942 147.4
[M+H-H2O]+ 214.00352 133.3
[M+HCOO]- 276.00446 155.0
[M+CH3COO]- 290.02011 188.4
[M+Na-2H]- 251.98093 149.4
[M]+ 231.00571 140.0
[M]- 231.00681 140.0
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