CID 9304

101-29-1

Structural Information

Molecular Formula
C7H5I2NO3
SMILES
C1=C(C(=O)C(=CN1CC(=O)O)I)I
InChI
InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)
InChIKey
PVBALTLWZVEAIO-UHFFFAOYSA-N
Compound name
2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

842
Patents

404.83588 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.84316 155.2
[M+Na]+ 427.82510 151.3
[M+NH4]+ 422.86970 152.8
[M+K]+ 443.79904 153.8
[M-H]- 403.82860 143.4
[M+Na-2H]- 425.81055 138.6
[M]+ 404.83533 149.2
[M]- 404.83643 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe