CID 155973279

2648939-62-0

Structural Information

Molecular Formula
C7H5BrINO3
SMILES
C1=C(C(=O)N(C=C1Br)CC(=O)O)I
InChI
InChI=1S/C7H5BrINO3/c8-4-1-5(9)7(13)10(2-4)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKey
UMXPYNIFPQVZLL-UHFFFAOYSA-N
Compound name
2-(5-bromo-3-iodo-2-oxopyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.84976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.85704 147.7
[M+Na]+ 379.83898 153.9
[M-H]- 355.84248 145.6
[M+NH4]+ 374.88358 162.3
[M+K]+ 395.81292 148.9
[M+H-H2O]+ 339.84702 143.9
[M+HCOO]- 401.84796 162.7
[M+CH3COO]- 415.86361 195.1
[M+Na-2H]- 377.82443 142.5
[M]+ 356.84921 163.9
[M]- 356.85031 163.9
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.