CID 2736874

2,6-dichloro-4-(trifluoromethyl)nicotinamide

Structural Information

Molecular Formula
C7H3Cl2F3N2O
SMILES
C1=C(C(=C(N=C1Cl)Cl)C(=O)N)C(F)(F)F
InChI
InChI=1S/C7H3Cl2F3N2O/c8-3-1-2(7(10,11)12)4(6(13)15)5(9)14-3/h1H,(H2,13,15)
InChIKey
KPMYDDLYJBPUEY-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

257.95746 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96474 142.8
[M+Na]+ 280.94668 154.6
[M-H]- 256.95018 141.1
[M+NH4]+ 275.99128 159.6
[M+K]+ 296.92062 148.8
[M+H-H2O]+ 240.95472 136.0
[M+HCOO]- 302.95566 152.2
[M+CH3COO]- 316.97131 193.9
[M+Na-2H]- 278.93213 145.9
[M]+ 257.95691 141.1
[M]- 257.95801 141.1
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