CID 334855

2,6-dichloro-4-methylnicotinamide

Structural Information

Molecular Formula
C7H6Cl2N2O
SMILES
CC1=CC(=NC(=C1C(=O)N)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O/c1-3-2-4(8)11-6(9)5(3)7(10)12/h2H,1H3,(H2,10,12)
InChIKey
FUHRWOFCZTZGQA-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

104
Patents

203.98572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99300 136.9
[M+Na]+ 226.97494 148.2
[M-H]- 202.97844 139.0
[M+NH4]+ 222.01954 156.0
[M+K]+ 242.94888 143.3
[M+H-H2O]+ 186.98298 132.6
[M+HCOO]- 248.98392 150.9
[M+CH3COO]- 262.99957 186.1
[M+Na-2H]- 224.96039 140.9
[M]+ 203.98517 139.0
[M]- 203.98627 139.0
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