CID 12031535

514797-96-7

Structural Information

Molecular Formula
C5H3ClFNO
SMILES
C1=C(C(=O)NC=C1Cl)F
InChI
InChI=1S/C5H3ClFNO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey
AKLNMOLGRGQMFY-UHFFFAOYSA-N
Compound name
5-chloro-3-fluoro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

45
Patents

146.98872 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.995996 119.4
[M+Na]+ 169.977938 131.1
[M-H]- 145.981444 119.9
[M+NH4]+ 165.022543 140.1
[M+K]+ 185.951878 126.7
[M+H-H2O]+ 129.985980 114.2
[M+HCOO]- 191.986921 137.3
[M+CH3COO]- 206.002571 169.2
[M+Na-2H]- 167.963386 127.0
[M]+ 146.98817142 118.8
[M]- 146.98926858 118.8
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