CID 11780423

3-iodo-5-nitro-1,2-dihydropyridin-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

265.91885 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe