CID 68081793

1227577-23-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

127.04334 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05062 119.0
[M+Na]+ 150.03256 129.5
[M-H]- 126.03606 119.5
[M+NH4]+ 145.07716 139.7
[M+K]+ 166.00650 126.8
[M+H-H2O]+ 110.04060 112.8
[M+HCOO]- 172.04154 141.1
[M+CH3COO]- 186.05719 168.3
[M+Na-2H]- 148.01801 126.5
[M]+ 127.04279 116.8
[M]- 127.04389 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