CID 72212506

2-chloro-5-fluoropyridin-4-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

146.98872 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe