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

94
Patents

220.9243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.931576 128.6
[M+Na]+ 243.913518 144.4
[M-H]- 219.917024 134.7
[M+NH4]+ 238.958123 151.1
[M+K]+ 259.887458 132.0
[M+H-H2O]+ 203.921560 130.0
[M+HCOO]- 265.922501 146.5
[M+CH3COO]- 279.938151 183.9
[M+Na-2H]- 241.898966 137.4
[M]+ 220.92375142 150.2
[M]- 220.92484858 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