CID 55866

Brn 4707837

Structural Information

Molecular Formula
C19H18F3N
SMILES
C1C[C@H]2[C@H](C3=CC=CC=C3[C@H]2NC1)C4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C19H18F3N/c20-19(21,22)16-10-4-3-8-14(16)17-12-6-1-2-7-13(12)18-15(17)9-5-11-23-18/h1-4,6-8,10,15,17-18,23H,5,9,11H2/t15-,17+,18+/m0/s1
InChIKey
JVJAODDHUIXLQJ-CGTJXYLNSA-N
Compound name
(4aS,5R,9bS)-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.13913 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14641 173.7
[M+Na]+ 340.12835 180.9
[M-H]- 316.13185 175.0
[M+NH4]+ 335.17295 189.8
[M+K]+ 356.10229 172.9
[M+H-H2O]+ 300.13639 163.4
[M+HCOO]- 362.13733 184.7
[M+CH3COO]- 376.15298 182.6
[M+Na-2H]- 338.11380 175.3
[M]+ 317.13858 164.6
[M]- 317.13968 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.