CID 63386100

3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C13H16F3N
SMILES
CC(C)C1CC2=C(C=CC(=C2)C(F)(F)F)NC1
InChI
InChI=1S/C13H16F3N/c1-8(2)10-5-9-6-11(13(14,15)16)3-4-12(9)17-7-10/h3-4,6,8,10,17H,5,7H2,1-2H3
InChIKey
XUAVLHBJQNYFGJ-UHFFFAOYSA-N
Compound name
3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12349 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13077 154.0
[M+Na]+ 266.11271 161.0
[M-H]- 242.11621 151.4
[M+NH4]+ 261.15731 170.7
[M+K]+ 282.08665 156.2
[M+H-H2O]+ 226.12075 145.2
[M+HCOO]- 288.12169 165.6
[M+CH3COO]- 302.13734 192.6
[M+Na-2H]- 264.09816 157.0
[M]+ 243.12294 145.9
[M]- 243.12404 145.9
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

No patent data available for this compound.