CID 293093

3,5-diiodopyridin-2-ol

Structural Information

Molecular Formula
C5H3I2NO
SMILES
C1=C(C(=O)NC=C1I)I
InChI
InChI=1S/C5H3I2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey
JYLBTESOPCUQIT-UHFFFAOYSA-N
Compound name
3,5-diiodo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

346.8304 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.837676 133.4
[M+Na]+ 369.819618 128.5
[M-H]- 345.823124 123.4
[M+NH4]+ 364.864223 142.6
[M+K]+ 385.793558 137.9
[M+H-H2O]+ 329.827660 122.1
[M+HCOO]- 391.828601 144.8
[M+CH3COO]- 405.844251 194.0
[M+Na-2H]- 367.805066 123.0
[M]+ 346.82985142 127.7
[M]- 346.83094858 127.7
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