CID 4396970

3-bromo-n-(pyridin-3-yl)benzamide

Structural Information

Molecular Formula
C12H9BrN2O
SMILES
C1=CC(=CC(=C1)Br)C(=O)NC2=CN=CC=C2
InChI
InChI=1S/C12H9BrN2O/c13-10-4-1-3-9(7-10)12(16)15-11-5-2-6-14-8-11/h1-8H,(H,15,16)
InChIKey
YBXUQVCTKPMFHF-UHFFFAOYSA-N
Compound name
3-bromo-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

275.98984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.99712 151.0
[M+Na]+ 298.97906 161.2
[M-H]- 274.98256 158.8
[M+NH4]+ 294.02366 168.8
[M+K]+ 314.95300 149.5
[M+H-H2O]+ 258.98710 149.2
[M+HCOO]- 320.98804 172.6
[M+CH3COO]- 335.00369 195.6
[M+Na-2H]- 296.96451 159.5
[M]+ 275.98929 168.3
[M]- 275.99039 168.3
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