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-chloropyridin-2-yl)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]+ 233.93158 133.7
[M+Na]+ 255.91352 147.9
[M-H]- 231.91702 139.3
[M+NH4]+ 250.95812 155.3
[M+K]+ 271.88746 135.7
[M+H-H2O]+ 215.92156 134.7
[M+HCOO]- 277.92250 150.3
[M+CH3COO]- 291.93815 186.3
[M+Na-2H]- 253.89897 141.4
[M]+ 232.92375 154.7
[M]- 232.92485 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.