CID 4662604

109273-56-5

Structural Information

Molecular Formula
C13H9BrN2O
SMILES
CC1=C(C(=O)NC(=C1)C2=CC=C(C=C2)Br)C#N
InChI
InChI=1S/C13H9BrN2O/c1-8-6-12(16-13(17)11(8)7-15)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17)
InChIKey
BRHFMMXFUPYJFH-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.98984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.99712 155.2
[M+Na]+ 310.97906 161.4
[M+NH4]+ 306.02366 157.1
[M+K]+ 326.95300 157.0
[M-H]- 286.98256 151.0
[M+Na-2H]- 308.96451 158.3
[M]+ 287.98929 153.3
[M]- 287.99039 153.3
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

No patent data available for this compound.