CID 735151

5-bromopyridine-2-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

373
Patents

199.95853 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.96581 130.5
[M+Na]+ 222.94775 142.2
[M-H]- 198.95125 135.4
[M+NH4]+ 217.99235 151.4
[M+K]+ 238.92169 131.5
[M+H-H2O]+ 182.95579 129.9
[M+HCOO]- 244.95673 152.0
[M+CH3COO]- 258.97238 182.7
[M+Na-2H]- 220.93320 138.7
[M]+ 199.95798 147.2
[M]- 199.95908 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

literature stripe

Patent stripe

patents stripe