CID 352597

4-bromopyridine-3-carboxamide

Structural Information

Molecular Formula
C6H5BrN2O
SMILES
C1=CN=CC(=C1Br)C(=O)N
InChI
InChI=1S/C6H5BrN2O/c7-5-1-2-9-3-4(5)6(8)10/h1-3H,(H2,8,10)
InChIKey
QIGQCXFDOXURPZ-UHFFFAOYSA-N
Compound name
4-bromopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

199.95853 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.965806 130.5
[M+Na]+ 222.947748 142.2
[M-H]- 198.951254 135.4
[M+NH4]+ 217.992353 151.4
[M+K]+ 238.921688 131.5
[M+H-H2O]+ 182.955790 129.9
[M+HCOO]- 244.956731 152.0
[M+CH3COO]- 258.972381 182.7
[M+Na-2H]- 220.933196 138.7
[M]+ 199.95798142 147.2
[M]- 199.95907858 147.2
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