CID 70470776

8-chloro-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H9ClF3N
SMILES
C1CC2=C(C(=CC(=C2)C(F)(F)F)Cl)NC1
InChI
InChI=1S/C10H9ClF3N/c11-8-5-7(10(12,13)14)4-6-2-1-3-15-9(6)8/h4-5,15H,1-3H2
InChIKey
XHWTXSCLCGVNHP-UHFFFAOYSA-N
Compound name
8-chloro-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.03757 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04485 145.2
[M+Na]+ 258.02679 154.5
[M-H]- 234.03029 142.8
[M+NH4]+ 253.07139 163.2
[M+K]+ 274.00073 148.1
[M+H-H2O]+ 218.03483 137.4
[M+HCOO]- 280.03577 154.3
[M+CH3COO]- 294.05142 186.5
[M+Na-2H]- 256.01224 150.6
[M]+ 235.03702 138.9
[M]- 235.03812 138.9
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