CID 45092489

3,3-difluoropyrrolidin-2-one

Structural Information

Molecular Formula
C4H5F2NO
SMILES
C1CNC(=O)C1(F)F
InChI
InChI=1S/C4H5F2NO/c5-4(6)1-2-7-3(4)8/h1-2H2,(H,7,8)
InChIKey
BDHHIGBFEDVNDX-UHFFFAOYSA-N
Compound name
3,3-difluoropyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

121.03392 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.04120 117.4
[M+Na]+ 144.02314 126.5
[M-H]- 120.02664 116.0
[M+NH4]+ 139.06774 141.5
[M+K]+ 159.99708 124.9
[M+H-H2O]+ 104.03118 111.4
[M+HCOO]- 166.03212 137.0
[M+CH3COO]- 180.04777 164.3
[M+Na-2H]- 142.00859 122.9
[M]+ 121.03337 111.0
[M]- 121.03447 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