CID 64282982

3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H12FNO2
SMILES
CN1CCC(C1=O)OC2=CC(=CC=C2)F
InChI
InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3
InChIKey
JWLJWMCLUCDWSD-UHFFFAOYSA-N
Compound name
3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0852 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.092476 142.4
[M+Na]+ 232.074418 151.3
[M-H]- 208.077924 146.9
[M+NH4]+ 227.119023 162.0
[M+K]+ 248.048358 148.6
[M+H-H2O]+ 192.082460 134.7
[M+HCOO]- 254.083401 164.0
[M+CH3COO]- 268.099051 185.5
[M+Na-2H]- 230.059866 144.9
[M]+ 209.08465142 141.1
[M]- 209.08574858 141.1
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

No patent data available for this compound.