CID 45361729

1072140-97-6

Structural Information

Molecular Formula
C5H3IN2O3
SMILES
C1=C(C(=O)C(=CN1)I)[N+](=O)[O-]
InChI
InChI=1S/C5H3IN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9)
InChIKey
IRCVFNRJFRGRRX-UHFFFAOYSA-N
Compound name
3-iodo-5-nitro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.91885 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.92613 139.7
[M+Na]+ 288.90807 141.8
[M-H]- 264.91157 134.8
[M+NH4]+ 283.95267 153.1
[M+K]+ 304.88201 141.6
[M+H-H2O]+ 248.91611 134.5
[M+HCOO]- 310.91705 158.8
[M+CH3COO]- 324.93270 175.9
[M+Na-2H]- 286.89352 136.2
[M]+ 265.91830 134.7
[M]- 265.91940 134.7
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

No patent data available for this compound.