CID 10011854

3-fluoropyrrolidin-2-one

Structural Information

Molecular Formula
C4H6FNO
SMILES
C1CNC(=O)C1F
InChI
InChI=1S/C4H6FNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7)
InChIKey
OPUUXPIAXCZUOB-UHFFFAOYSA-N
Compound name
3-fluoropyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

103.04334 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05062 116.2
[M+Na]+ 126.03256 124.4
[M-H]- 102.03606 115.8
[M+NH4]+ 121.07716 139.0
[M+K]+ 142.00650 123.0
[M+H-H2O]+ 86.040600 110.3
[M+HCOO]- 148.04154 136.8
[M+CH3COO]- 162.05719 161.9
[M+Na-2H]- 124.01801 121.0
[M]+ 103.04279 110.7
[M]- 103.04389 110.7
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