CID 20071992

1211534-26-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 136.4
[M+Na]+ 255.91352 141.6
[M+NH4]+ 250.95812 141.6
[M+K]+ 271.88746 141.2
[M-H]- 231.91702 136.7
[M+Na-2H]- 253.89897 140.7
[M]+ 232.92375 136.3
[M]- 232.92485 136.3
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