CID 125425646

6-(trifluoromethoxy)quinolin-2-amine

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
C1=CC2=C(C=CC(=N2)N)C=C1OC(F)(F)F
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)16-7-2-3-8-6(5-7)1-4-9(14)15-8/h1-5H,(H2,14,15)
InChIKey
NNCNPTQDIOWJPB-UHFFFAOYSA-N
Compound name
6-(trifluoromethoxy)quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05832 144.3
[M+Na]+ 251.04026 154.4
[M-H]- 227.04376 143.7
[M+NH4]+ 246.08486 161.9
[M+K]+ 267.01420 150.4
[M+H-H2O]+ 211.04830 135.1
[M+HCOO]- 273.04924 162.9
[M+CH3COO]- 287.06489 190.8
[M+Na-2H]- 249.02571 152.0
[M]+ 228.05049 140.4
[M]- 228.05159 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.