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

53
Patents

151.06088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.068156 127.4
[M+Na]+ 174.050098 134.2
[M-H]- 150.053604 123.9
[M+NH4]+ 169.094703 146.3
[M+K]+ 190.024038 131.7
[M+H-H2O]+ 134.058140 119.4
[M+HCOO]- 196.059081 142.4
[M+CH3COO]- 210.074731 170.9
[M+Na-2H]- 172.035546 133.5
[M]+ 151.06033142 117.8
[M]- 151.06142858 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