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]+ 229.058316 144.3
[M+Na]+ 251.040258 154.4
[M-H]- 227.043764 143.7
[M+NH4]+ 246.084863 161.9
[M+K]+ 267.014198 150.4
[M+H-H2O]+ 211.048300 135.1
[M+HCOO]- 273.049241 162.9
[M+CH3COO]- 287.064891 190.8
[M+Na-2H]- 249.025706 152.0
[M]+ 228.05049142 140.4
[M]- 228.05158858 140.4
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.