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 156.1
[M+Na]+ 303.03274 167.5
[M-H]- 279.03624 152.0
[M+NH4]+ 298.07734 171.8
[M+K]+ 319.00668 161.8
[M+H-H2O]+ 263.04078 144.8
[M+HCOO]- 325.04172 169.2
[M+CH3COO]- 339.05737 201.4
[M+Na-2H]- 301.01819 161.3
[M]+ 280.04297 147.1
[M]- 280.04407 147.1
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