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

1
Patents

207.06955 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07683 142.1
[M+Na]+ 230.05877 150.1
[M-H]- 206.06227 146.4
[M+NH4]+ 225.10337 161.3
[M+K]+ 246.03271 147.3
[M+H-H2O]+ 190.06681 134.3
[M+HCOO]- 252.06775 162.9
[M+CH3COO]- 266.08340 183.7
[M+Na-2H]- 228.04422 144.1
[M]+ 207.06900 139.0
[M]- 207.07010 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