CID 3011468

N-(4-bromo-2-pyridyl)-3-chloro-benzamide

Structural Information

Molecular Formula
C12H8BrClN2O
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=NC=CC(=C2)Br
InChI
InChI=1S/C12H8BrClN2O/c13-9-4-5-15-11(7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17)
InChIKey
OKMUFNHNRFMSFD-UHFFFAOYSA-N
Compound name
N-(4-bromopyridin-2-yl)-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.95084 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.95812 155.8
[M+Na]+ 332.94006 167.9
[M-H]- 308.94356 163.8
[M+NH4]+ 327.98466 173.6
[M+K]+ 348.91400 154.4
[M+H-H2O]+ 292.94810 154.7
[M+HCOO]- 354.94904 173.0
[M+CH3COO]- 368.96469 200.1
[M+Na-2H]- 330.92551 163.3
[M]+ 309.95029 175.5
[M]- 309.95139 175.5
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

No patent data available for this compound.