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]+ 188.068156 134.5
[M+Na]+ 210.050098 143.9
[M-H]- 186.053604 132.5
[M+NH4]+ 205.094703 153.6
[M+K]+ 226.024038 139.1
[M+H-H2O]+ 170.058140 125.9
[M+HCOO]- 232.059081 150.0
[M+CH3COO]- 246.074731 181.1
[M+Na-2H]- 208.035546 139.5
[M]+ 187.06033142 126.6
[M]- 187.06142858 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.