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 146.1
[M+Na]+ 249.06100 156.9
[M-H]- 225.06450 145.7
[M+NH4]+ 244.10560 164.2
[M+K]+ 265.03494 152.1
[M+H-H2O]+ 209.06904 137.2
[M+HCOO]- 271.06998 164.1
[M+CH3COO]- 285.08563 193.0
[M+Na-2H]- 247.04645 152.5
[M]+ 226.07123 141.5
[M]- 226.07233 141.5
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

patents stripe