CID 11183925

2-bromo-1-(5-chloropyridin-2-yl)ethan-1-one hydrobromide

Structural Information

Molecular Formula
C7H5BrClNO
SMILES
C1=CC(=NC=C1Cl)C(=O)CBr
InChI
InChI=1S/C7H5BrClNO/c8-3-7(11)6-2-1-5(9)4-10-6/h1-2,4H,3H2
InChIKey
LAZQJVLXFVZZCY-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-chloro-2-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

232.9243 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.931576 134.4
[M+Na]+ 255.913518 147.8
[M-H]- 231.917024 139.7
[M+NH4]+ 250.958123 155.7
[M+K]+ 271.887458 135.6
[M+H-H2O]+ 215.921560 135.2
[M+HCOO]- 277.922501 151.0
[M+CH3COO]- 291.938151 185.3
[M+Na-2H]- 253.898966 142.8
[M]+ 232.92375142 155.1
[M]- 232.92484858 155.1
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