CID 67281826

889865-55-8

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=O)N(C=C1Br)C
InChI
InChI=1S/C7H8BrNO/c1-5-3-7(10)9(2)4-6(5)8/h3-4H,1-2H3
InChIKey
VEFBADZSNWPVHQ-UHFFFAOYSA-N
Compound name
5-bromo-1,4-dimethylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

200.97893 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 128.5
[M+Na]+ 223.96815 142.8
[M-H]- 199.97165 134.6
[M+NH4]+ 219.01275 150.9
[M+K]+ 239.94209 132.3
[M+H-H2O]+ 183.97619 129.0
[M+HCOO]- 245.97713 150.4
[M+CH3COO]- 259.99278 183.1
[M+Na-2H]- 221.95360 137.0
[M]+ 200.97838 148.7
[M]- 200.97948 148.7
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

patents stripe