CID 68890048

3-(trifluoromethyl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C7H5F3N2O
SMILES
C1=CN=CC(=C1C(=O)N)C(F)(F)F
InChI
InChI=1S/C7H5F3N2O/c8-7(9,10)5-3-12-2-1-4(5)6(11)13/h1-3H,(H2,11,13)
InChIKey
GZQWHSYPQHQEHH-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

190.0354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04268 133.8
[M+Na]+ 213.02462 142.9
[M-H]- 189.02812 132.3
[M+NH4]+ 208.06922 151.6
[M+K]+ 228.99856 140.3
[M+H-H2O]+ 173.03266 125.2
[M+HCOO]- 235.03360 152.8
[M+CH3COO]- 249.04925 183.1
[M+Na-2H]- 211.01007 139.4
[M]+ 190.03485 128.1
[M]- 190.03595 128.1
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