CID 12647572

8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1CC2=C(C(=CC=C2)C(F)(F)F)NC1
InChI
InChI=1S/C10H10F3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1,3,5,14H,2,4,6H2
InChIKey
AIZOQUQBOXPVBX-UHFFFAOYSA-N
Compound name
8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.07654 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08382 144.0
[M+Na]+ 224.06576 153.4
[M+NH4]+ 219.11036 150.7
[M+K]+ 240.03970 147.4
[M-H]- 200.06926 141.4
[M+Na-2H]- 222.05121 148.0
[M]+ 201.07599 144.3
[M]- 201.07709 144.3
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