CID 17039644

4-amino-2-methyl-7-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C11H9F3N2
SMILES
CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N
InChI
InChI=1S/C11H9F3N2/c1-6-4-9(15)8-3-2-7(11(12,13)14)5-10(8)16-6/h2-5H,1H3,(H2,15,16)
InChIKey
XOCNDKPCAIPSRG-UHFFFAOYSA-N
Compound name
2-methyl-7-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.07178 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07906 147.6
[M+Na]+ 249.06100 158.2
[M+NH4]+ 244.10560 153.9
[M+K]+ 265.03494 152.4
[M-H]- 225.06450 145.9
[M+Na-2H]- 247.04645 152.5
[M]+ 226.07123 148.4
[M]- 226.07233 148.4
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.