CID 3011464

3-bromo-n-(4-bromo-2-pyridyl)benzamide

Structural Information

Molecular Formula
C12H8Br2N2O
SMILES
C1=CC(=CC(=C1)Br)C(=O)NC2=NC=CC(=C2)Br
InChI
InChI=1S/C12H8Br2N2O/c13-9-3-1-2-8(6-9)12(17)16-11-7-10(14)4-5-15-11/h1-7H,(H,15,16,17)
InChIKey
IFXNACZBLDYOPL-UHFFFAOYSA-N
Compound name
3-bromo-N-(4-bromopyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.90033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.90761 151.7
[M+Na]+ 376.88955 161.4
[M-H]- 352.89305 159.7
[M+NH4]+ 371.93415 167.5
[M+K]+ 392.86349 145.7
[M+H-H2O]+ 336.89759 158.3
[M+HCOO]- 398.89853 167.8
[M+CH3COO]- 412.91418 211.8
[M+Na-2H]- 374.87500 159.0
[M]+ 353.89978 184.9
[M]- 353.90088 184.9
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.