CID 63051041

6,7,8-trifluoro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H8F3N
SMILES
C1CNCC2=C(C(=C(C=C21)F)F)F
InChI
InChI=1S/C9H8F3N/c10-7-3-5-1-2-13-4-6(5)8(11)9(7)12/h3,13H,1-2,4H2
InChIKey
ZKJWTLXETCFLQM-UHFFFAOYSA-N
Compound name
6,7,8-trifluoro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06088 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06816 134.5
[M+Na]+ 210.05010 143.9
[M-H]- 186.05360 132.5
[M+NH4]+ 205.09470 153.6
[M+K]+ 226.02404 139.1
[M+H-H2O]+ 170.05814 125.9
[M+HCOO]- 232.05908 150.0
[M+CH3COO]- 246.07473 181.1
[M+Na-2H]- 208.03555 139.5
[M]+ 187.06033 126.6
[M]- 187.06143 126.6
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.