CID 62916527

4-[3-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C12H12F3NO
SMILES
C1CNCC=C1C2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C12H12F3NO/c13-12(14,15)17-11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-4,8,16H,5-7H2
InChIKey
SBIJWZNUQZYVQE-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.0871 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09438 151.1
[M+Na]+ 266.07632 157.7
[M-H]- 242.07982 150.6
[M+NH4]+ 261.12092 166.1
[M+K]+ 282.05026 153.1
[M+H-H2O]+ 226.08436 141.0
[M+HCOO]- 288.08530 165.8
[M+CH3COO]- 302.10095 187.8
[M+Na-2H]- 264.06177 155.9
[M]+ 243.08655 143.0
[M]- 243.08765 143.0
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