CID 86732492

5,7-bis(trifluoromethyl)quinolin-2-amine

Structural Information

Molecular Formula
C11H6F6N2
SMILES
C1=CC(=NC2=CC(=CC(=C21)C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C11H6F6N2/c12-10(13,14)5-3-7(11(15,16)17)6-1-2-9(18)19-8(6)4-5/h1-4H,(H2,18,19)
InChIKey
OZJXAZVQUFSTOC-UHFFFAOYSA-N
Compound name
5,7-bis(trifluoromethyl)quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

280.04352 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe