CID 12552277

72323-59-2

Structural Information

Molecular Formula
C6H6FNO
SMILES
CC1=CNC(=O)C(=C1)F
InChI
InChI=1S/C6H6FNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKey
DGEJXOUYBQECRG-UHFFFAOYSA-N
Compound name
3-fluoro-5-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

127.04334 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.050616 119.0
[M+Na]+ 150.032558 129.5
[M-H]- 126.036064 119.5
[M+NH4]+ 145.077163 139.7
[M+K]+ 166.006498 126.8
[M+H-H2O]+ 110.040600 112.8
[M+HCOO]- 172.041541 141.1
[M+CH3COO]- 186.057191 168.3
[M+Na-2H]- 148.018006 126.5
[M]+ 127.04279142 116.8
[M]- 127.04388858 116.8
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