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 135.3
[M+Na]+ 335.84914 142.7
[M-H]- 311.85264 134.6
[M+NH4]+ 330.89374 152.5
[M+K]+ 351.82308 138.0
[M+H-H2O]+ 295.85718 132.0
[M+HCOO]- 357.85812 152.5
[M+CH3COO]- 371.87377 191.1
[M+Na-2H]- 333.83459 132.5
[M]+ 312.85937 151.7
[M]- 312.86047 151.7
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