CID 44818839

2-bromo-1-(3-bromopyridin-4-yl)ethanone hydrobromide

Structural Information

Molecular Formula
C7H5Br2NO
SMILES
C1=CN=CC(=C1C(=O)CBr)Br
InChI
InChI=1S/C7H5Br2NO/c8-3-7(11)5-1-2-10-4-6(5)9/h1-2,4H,3H2
InChIKey
XARUFKOOIVMYPB-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-bromo-4-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

276.87378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.881056 132.4
[M+Na]+ 299.862998 143.6
[M-H]- 275.866504 138.4
[M+NH4]+ 294.907603 151.3
[M+K]+ 315.836938 128.7
[M+H-H2O]+ 259.871040 140.6
[M+HCOO]- 321.871981 148.3
[M+CH3COO]- 335.887631 199.7
[M+Na-2H]- 297.848446 140.7
[M]+ 276.87323142 166.7
[M]- 276.87432858 166.7
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