CID 45480261

766515-33-7

Structural Information

Molecular Formula
C6H3IN2O
SMILES
C1=C(C(=O)NC=C1I)C#N
InChI
InChI=1S/C6H3IN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10)
InChIKey
DHNUUSNUUZTHEN-UHFFFAOYSA-N
Compound name
5-iodo-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

245.92902 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.93630 133.8
[M+Na]+ 268.91824 138.7
[M-H]- 244.92174 128.9
[M+NH4]+ 263.96284 147.2
[M+K]+ 284.89218 140.9
[M+H-H2O]+ 228.92628 118.7
[M+HCOO]- 290.92722 148.5
[M+CH3COO]- 304.94287 191.2
[M+Na-2H]- 266.90369 129.6
[M]+ 245.92847 125.7
[M]- 245.92957 125.7
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