CID 18176519

284027-37-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

201.07654 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.083816 140.1
[M+Na]+ 224.065758 147.8
[M-H]- 200.069264 137.6
[M+NH4]+ 219.110363 158.3
[M+K]+ 240.039698 143.2
[M+H-H2O]+ 184.073800 131.5
[M+HCOO]- 246.074741 153.8
[M+CH3COO]- 260.090391 181.5
[M+Na-2H]- 222.051206 146.6
[M]+ 201.07599142 131.3
[M]- 201.07708858 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

No literature data available for this compound.

Patent stripe

patents stripe