CID 2778438

2-chloro-6-(trifluoromethyl)nicotinamide

Structural Information

Molecular Formula
C7H4ClF3N2O
SMILES
C1=CC(=NC(=C1C(=O)N)Cl)C(F)(F)F
InChI
InChI=1S/C7H4ClF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14)
InChIKey
JBTBDGVGPLLRLS-UHFFFAOYSA-N
Compound name
2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

223.99643 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00371 138.4
[M+Na]+ 246.98565 149.0
[M-H]- 222.98915 137.0
[M+NH4]+ 242.03025 155.9
[M+K]+ 262.95959 144.6
[M+H-H2O]+ 206.99369 130.7
[M+HCOO]- 268.99463 152.8
[M+CH3COO]- 283.01028 188.1
[M+Na-2H]- 244.97110 142.8
[M]+ 223.99588 135.1
[M]- 223.99698 135.1
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