CID 67253829

4-(difluoromethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H7F2NO
SMILES
C1C(CNC1=O)C(F)F
InChI
InChI=1S/C5H7F2NO/c6-5(7)3-1-4(9)8-2-3/h3,5H,1-2H2,(H,8,9)
InChIKey
OCJFFBJHASDJJJ-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

135.04958 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05686 123.6
[M+Na]+ 158.03880 131.0
[M-H]- 134.04230 121.7
[M+NH4]+ 153.08340 144.9
[M+K]+ 174.01274 129.4
[M+H-H2O]+ 118.04684 116.5
[M+HCOO]- 180.04778 141.7
[M+CH3COO]- 194.06343 168.6
[M+Na-2H]- 156.02425 125.9
[M]+ 135.04903 116.5
[M]- 135.05013 116.5
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