CID 21357395

4-(3,4-difluorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H9F2NO
SMILES
C1C(CNC1=O)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C10H9F2NO/c11-8-2-1-6(3-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14)
InChIKey
WEBXSXICEYKMAI-UHFFFAOYSA-N
Compound name
4-(3,4-difluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

197.06522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07250 138.0
[M+Na]+ 220.05444 147.0
[M-H]- 196.05794 139.8
[M+NH4]+ 215.09904 157.3
[M+K]+ 236.02838 142.7
[M+H-H2O]+ 180.06248 129.9
[M+HCOO]- 242.06342 157.2
[M+CH3COO]- 256.07907 180.6
[M+Na-2H]- 218.03989 140.0
[M]+ 197.06467 132.0
[M]- 197.06577 132.0
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