CID 10375551

7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1CNCC2=C1C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
InChIKey
NGQHLYGRTFVUEM-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

186
Patents

201.07654 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe