CID 53416607

2-bromo-1-(3,5-dichloropyridin-2-yl)ethanone

Structural Information

Molecular Formula
C7H4BrCl2NO
SMILES
C1=C(C=NC(=C1Cl)C(=O)CBr)Cl
InChI
InChI=1S/C7H4BrCl2NO/c8-2-6(12)7-5(10)1-4(9)3-11-7/h1,3H,2H2
InChIKey
MNFWXYZAQPBKSQ-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,5-dichloropyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

266.8853 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.89258 137.7
[M+Na]+ 289.87452 152.4
[M-H]- 265.87802 142.7
[M+NH4]+ 284.91912 158.4
[M+K]+ 305.84846 138.8
[M+H-H2O]+ 249.88256 139.2
[M+HCOO]- 311.88350 149.5
[M+CH3COO]- 325.89915 190.7
[M+Na-2H]- 287.85997 144.9
[M]+ 266.88475 159.3
[M]- 266.88585 159.3
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