CID 45599361

8-(trifluoromethoxy)quinolin-4-amine

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
C1=CC2=C(C=CN=C2C(=C1)OC(F)(F)F)N
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)16-8-3-1-2-6-7(14)4-5-15-9(6)8/h1-5H,(H2,14,15)
InChIKey
TXQDWAKYWHIPPR-UHFFFAOYSA-N
Compound name
8-(trifluoromethoxy)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05104 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05832 145.4
[M+Na]+ 251.04026 155.5
[M+NH4]+ 246.08486 151.4
[M+K]+ 267.01420 150.2
[M-H]- 227.04376 143.3
[M+Na-2H]- 249.02571 150.4
[M]+ 228.05049 146.0
[M]- 228.05159 146.0
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.