CID 129979401

4-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10FNO2
SMILES
C1C(CNC1=O)C2=CC(=C(C=C2)O)F
InChI
InChI=1S/C10H10FNO2/c11-8-3-6(1-2-9(8)13)7-4-10(14)12-5-7/h1-3,7,13H,4-5H2,(H,12,14)
InChIKey
PKYQYASGFRCQQQ-UHFFFAOYSA-N
Compound name
4-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06955 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 139.1
[M+Na]+ 218.05877 147.6
[M-H]- 194.06227 141.0
[M+NH4]+ 213.10337 157.8
[M+K]+ 234.03271 143.3
[M+H-H2O]+ 178.06681 132.1
[M+HCOO]- 240.06775 158.0
[M+CH3COO]- 254.08340 177.4
[M+Na-2H]- 216.04422 141.2
[M]+ 195.06900 133.8
[M]- 195.07010 133.8
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

No patent data available for this compound.