CID 68769558

4,4-difluoropyrrolidin-2-one

Structural Information

Molecular Formula
C4H5F2NO
SMILES
C1C(=O)NCC1(F)F
InChI
InChI=1S/C4H5F2NO/c5-4(6)1-3(8)7-2-4/h1-2H2,(H,7,8)
InChIKey
PVNTVEUEDNMWIV-UHFFFAOYSA-N
Compound name
4,4-difluoropyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

121.03392 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.041196 117.4
[M+Na]+ 144.023138 126.5
[M-H]- 120.026644 116.0
[M+NH4]+ 139.067743 141.5
[M+K]+ 159.997078 124.9
[M+H-H2O]+ 104.031180 111.4
[M+HCOO]- 166.032121 137.0
[M+CH3COO]- 180.047771 164.3
[M+Na-2H]- 142.008586 122.9
[M]+ 121.03337142 111.0
[M]- 121.03446858 111.0
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