CID 86684025

1433855-64-1

Structural Information

Molecular Formula
C6H5BrINO
SMILES
CN1C=C(C=C(C1=O)Br)I
InChI
InChI=1S/C6H5BrINO/c1-9-3-4(8)2-5(7)6(9)10/h2-3H,1H3
InChIKey
YNJNCYFJPHKCDQ-UHFFFAOYSA-N
Compound name
3-bromo-5-iodo-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

312.85992 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.86720 140.0
[M+Na]+ 335.84914 138.7
[M+NH4]+ 330.89374 141.3
[M+K]+ 351.82308 141.1
[M-H]- 311.85264 135.0
[M+Na-2H]- 333.83459 133.3
[M]+ 312.85937 136.4
[M]- 312.86047 136.4
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