CID 166000603

4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C10H9ClF3N
SMILES
C1CCC2=C(C1)C(=CC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H9ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h5H,1-4H2
InChIKey
YQMIEEVLBCEKQO-UHFFFAOYSA-N
Compound name
4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.03757 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04485 145.1
[M+Na]+ 258.02679 154.8
[M-H]- 234.03029 144.0
[M+NH4]+ 253.07139 163.7
[M+K]+ 274.00073 149.3
[M+H-H2O]+ 218.03483 136.8
[M+HCOO]- 280.03577 155.6
[M+CH3COO]- 294.05142 189.1
[M+Na-2H]- 256.01224 150.9
[M]+ 235.03702 140.5
[M]- 235.03812 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.