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]+ 210.09248 142.4
[M+Na]+ 232.07442 151.3
[M-H]- 208.07792 146.9
[M+NH4]+ 227.11902 162.0
[M+K]+ 248.04836 148.6
[M+H-H2O]+ 192.08246 134.7
[M+HCOO]- 254.08340 164.0
[M+CH3COO]- 268.09905 185.5
[M+Na-2H]- 230.05987 144.9
[M]+ 209.08465 141.1
[M]- 209.08575 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.