CID 23436897

3-chloropyridine-4-carboxamide

Structural Information

Molecular Formula
C6H5ClN2O
SMILES
C1=CN=CC(=C1C(=O)N)Cl
InChI
InChI=1S/C6H5ClN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10)
InChIKey
PPLLAHQNNDKXJU-UHFFFAOYSA-N
Compound name
3-chloropyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

156.00903 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01631 127.0
[M+Na]+ 178.99825 136.6
[M-H]- 155.00175 129.3
[M+NH4]+ 174.04285 147.1
[M+K]+ 194.97219 133.3
[M+H-H2O]+ 139.00629 121.7
[M+HCOO]- 201.00723 146.6
[M+CH3COO]- 215.02288 175.9
[M+Na-2H]- 176.98370 133.8
[M]+ 156.00848 127.0
[M]- 156.00958 127.0
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