CID 19826850

5-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H6F3N
SMILES
C1=CC(=C2C=CC=NC2=C1)C(F)(F)F
InChI
InChI=1S/C10H6F3N/c11-10(12,13)8-4-1-5-9-7(8)3-2-6-14-9/h1-6H
InChIKey
YIFZKLFTSGGGQW-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

197.04523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.052506 136.5
[M+Na]+ 220.034448 146.7
[M-H]- 196.037954 136.1
[M+NH4]+ 215.079053 155.7
[M+K]+ 236.008388 142.5
[M+H-H2O]+ 180.042490 127.6
[M+HCOO]- 242.043431 154.5
[M+CH3COO]- 256.059081 183.5
[M+Na-2H]- 218.019896 145.6
[M]+ 197.04468142 132.4
[M]- 197.04577858 132.4
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