CID 26985655

266359-12-0

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1CNCC=C1C(F)(F)F
InChI
InChI=1S/C6H8F3N/c7-6(8,9)5-1-3-10-4-2-5/h1,10H,2-4H2
InChIKey
PDOWUEWDTGKXGZ-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

151.06088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06816 127.4
[M+Na]+ 174.05010 134.2
[M-H]- 150.05360 123.9
[M+NH4]+ 169.09470 146.3
[M+K]+ 190.02404 131.7
[M+H-H2O]+ 134.05814 119.4
[M+HCOO]- 196.05908 142.4
[M+CH3COO]- 210.07473 170.9
[M+Na-2H]- 172.03555 133.5
[M]+ 151.06033 117.8
[M]- 151.06143 117.8
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