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]+ 244.130766 154.0
[M+Na]+ 266.112708 161.0
[M-H]- 242.116214 151.4
[M+NH4]+ 261.157313 170.7
[M+K]+ 282.086648 156.2
[M+H-H2O]+ 226.120750 145.2
[M+HCOO]- 288.121691 165.6
[M+CH3COO]- 302.137341 192.6
[M+Na-2H]- 264.098156 157.0
[M]+ 243.12294142 145.9
[M]- 243.12403858 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.