CID 3054979

Pyridine, 1,2,5,6-tetrahydro-3-(4-chloro-3-(trifluoromethyl)phenyl)-1-(phenylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H17ClF3N
SMILES
C1CN(CC(=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F)CC3=CC=CC=C3
InChI
InChI=1S/C19H17ClF3N/c20-18-9-8-15(11-17(18)19(21,22)23)16-7-4-10-24(13-16)12-14-5-2-1-3-6-14/h1-3,5-9,11H,4,10,12-13H2
InChIKey
SKPBDHWUNATPEL-UHFFFAOYSA-N
Compound name
1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.10016 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10744 180.1
[M+Na]+ 374.08938 188.1
[M-H]- 350.09288 183.6
[M+NH4]+ 369.13398 192.2
[M+K]+ 390.06332 179.7
[M+H-H2O]+ 334.09742 168.1
[M+HCOO]- 396.09836 190.3
[M+CH3COO]- 410.11401 211.0
[M+Na-2H]- 372.07483 181.8
[M]+ 351.09961 175.5
[M]- 351.10071 175.5
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

patents stripe