CID 17039641

4-amino-2,8-bis(trifluoromethyl)-quinoline

Structural Information

Molecular Formula
C11H6F6N2
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2N)C(F)(F)F
InChI
InChI=1S/C11H6F6N2/c12-10(13,14)6-3-1-2-5-7(18)4-8(11(15,16)17)19-9(5)6/h1-4H,(H2,18,19)
InChIKey
JIVITABMOYYSAY-UHFFFAOYSA-N
Compound name
2,8-bis(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.04352 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05080 163.1
[M+Na]+ 303.03274 168.9
[M+NH4]+ 298.07734 165.7
[M+K]+ 319.00668 164.9
[M-H]- 279.03624 157.4
[M+Na-2H]- 301.01819 164.6
[M]+ 280.04297 162.0
[M]- 280.04407 162.0
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

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