CID 67188185

889865-52-5

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
CN1C=C(C=C(C1=O)Cl)Br
InChI
InChI=1S/C6H5BrClNO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChIKey
XCJDYPABZAVZQC-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

220.9243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.93158 128.6
[M+Na]+ 243.91352 144.4
[M-H]- 219.91702 134.7
[M+NH4]+ 238.95812 151.1
[M+K]+ 259.88746 132.0
[M+H-H2O]+ 203.92156 130.0
[M+HCOO]- 265.92250 146.5
[M+CH3COO]- 279.93815 183.9
[M+Na-2H]- 241.89897 137.4
[M]+ 220.92375 150.2
[M]- 220.92485 150.2
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