CID 16244386

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

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1CC2=C(C=CC=C2NC1)C(F)(F)F
InChI
InChI=1S/C10H10F3N/c11-10(12,13)8-4-1-5-9-7(8)3-2-6-14-9/h1,4-5,14H,2-3,6H2
InChIKey
ANAKGDXHTHSQBX-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 140.1
[M+Na]+ 224.06576 147.8
[M-H]- 200.06926 137.6
[M+NH4]+ 219.11036 158.3
[M+K]+ 240.03970 143.2
[M+H-H2O]+ 184.07380 131.5
[M+HCOO]- 246.07474 153.8
[M+CH3COO]- 260.09039 181.5
[M+Na-2H]- 222.05121 146.6
[M]+ 201.07599 131.3
[M]- 201.07709 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe