CID 71744169

1-(3-bromo-5-chloropyridin-2-yl)ethanone

Structural Information

Molecular Formula
C7H5BrClNO
SMILES
CC(=O)C1=C(C=C(C=N1)Cl)Br
InChI
InChI=1S/C7H5BrClNO/c1-4(11)7-6(8)2-5(9)3-10-7/h2-3H,1H3
InChIKey
KMNWYNVTWPFJNR-UHFFFAOYSA-N
Compound name
1-(3-bromo-5-chloro-2-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.9243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.931576 133.7
[M+Na]+ 255.913518 147.9
[M-H]- 231.917024 139.3
[M+NH4]+ 250.958123 155.3
[M+K]+ 271.887458 135.7
[M+H-H2O]+ 215.921560 134.7
[M+HCOO]- 277.922501 150.3
[M+CH3COO]- 291.938151 186.3
[M+Na-2H]- 253.898966 141.4
[M]+ 232.92375142 154.7
[M]- 232.92484858 154.7
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

No patent data available for this compound.