CID 62809179

5,6,7-trifluoro-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H8F3N
SMILES
C1CC2=C(C(=C(C=C2NC1)F)F)F
InChI
InChI=1S/C9H8F3N/c10-6-4-7-5(2-1-3-13-7)8(11)9(6)12/h4,13H,1-3H2
InChIKey
HQDHYPSZWXNVRE-UHFFFAOYSA-N
Compound name
5,6,7-trifluoro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06088 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06816 139.8
[M+Na]+ 210.05010 150.4
[M+NH4]+ 205.09470 146.9
[M+K]+ 226.02404 143.8
[M-H]- 186.05360 137.9
[M+Na-2H]- 208.03555 143.7
[M]+ 187.06033 140.5
[M]- 187.06143 140.5
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.