CID 46737827

1186311-05-6

Structural Information

Molecular Formula
C5H3FINO
SMILES
C1=C(C(=O)NC=C1F)I
InChI
InChI=1S/C5H3FINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey
KCBSXUQSZXQHQM-UHFFFAOYSA-N
Compound name
5-fluoro-3-iodo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

238.92435 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.93163 126.0
[M+Na]+ 261.91357 129.4
[M-H]- 237.91707 119.6
[M+NH4]+ 256.95817 141.4
[M+K]+ 277.88751 132.6
[M+H-H2O]+ 221.92161 116.3
[M+HCOO]- 283.92255 143.2
[M+CH3COO]- 297.93820 177.5
[M+Na-2H]- 259.89902 121.5
[M]+ 238.92380 121.2
[M]- 238.92490 121.2
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

patents stripe