CID 2776815

175204-83-8

Structural Information

Molecular Formula
C7H9F3N2O
SMILES
C1CNC=C(C1C(F)(F)F)C(=O)N
InChI
InChI=1S/C7H9F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h3,5,12H,1-2H2,(H2,11,13)
InChIKey
RHDMRIZGZOMHBQ-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

194.0667 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.073976 137.9
[M+Na]+ 217.055918 144.4
[M-H]- 193.059424 134.1
[M+NH4]+ 212.100523 154.5
[M+K]+ 233.029858 141.4
[M+H-H2O]+ 177.063960 129.5
[M+HCOO]- 239.064901 152.4
[M+CH3COO]- 253.080551 181.3
[M+Na-2H]- 215.041366 140.8
[M]+ 194.06615142 127.3
[M]- 194.06724858 127.3
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

patents stripe