CID 1379990

3,4,5,6-tetrachloro-pyridine-2-carboxylic acid amide

Structural Information

Molecular Formula
C6H2Cl4N2O
SMILES
C1(=C(C(=NC(=C1Cl)Cl)C(=O)N)Cl)Cl
InChI
InChI=1S/C6H2Cl4N2O/c7-1-2(8)4(6(11)13)12-5(10)3(1)9/h(H2,11,13)
InChIKey
FZHRCPIWMOTPKX-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrachloropyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

257.89212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.89940 145.1
[M+Na]+ 280.88134 156.4
[M-H]- 256.88484 144.5
[M+NH4]+ 275.92594 161.4
[M+K]+ 296.85528 150.8
[M+H-H2O]+ 240.88938 142.2
[M+HCOO]- 302.89032 148.1
[M+CH3COO]- 316.90597 195.8
[M+Na-2H]- 278.86679 146.3
[M]+ 257.89157 146.0
[M]- 257.89267 146.0
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