CID 790873

1-(4-fluorobenzoyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C11H10FNO2
SMILES
C1CC(=O)N(C1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FNO2/c12-9-5-3-8(4-6-9)11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2
InChIKey
GMHITRLRULNSNA-UHFFFAOYSA-N
Compound name
1-(4-fluorobenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06955 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.076826 142.1
[M+Na]+ 230.058768 150.1
[M-H]- 206.062274 146.4
[M+NH4]+ 225.103373 161.3
[M+K]+ 246.032708 147.3
[M+H-H2O]+ 190.066810 134.3
[M+HCOO]- 252.067751 162.9
[M+CH3COO]- 266.083401 183.7
[M+Na-2H]- 228.044216 144.1
[M]+ 207.06900142 139.0
[M]- 207.07009858 139.0
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