CID 43521113

4-amino-1-(2,6-difluorophenyl)pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C10H10F2N2O
SMILES
C1C(CN(C1=O)C2=C(C=CC=C2F)F)N
InChI
InChI=1S/C10H10F2N2O/c11-7-2-1-3-8(12)10(7)14-5-6(13)4-9(14)15/h1-3,6H,4-5,13H2
InChIKey
JIWBRKIXAIFOSC-UHFFFAOYSA-N
Compound name
4-amino-1-(2,6-difluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07613 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.083406 141.9
[M+Na]+ 235.065348 151.3
[M-H]- 211.068854 144.9
[M+NH4]+ 230.109953 160.9
[M+K]+ 251.039288 147.4
[M+H-H2O]+ 195.073390 133.4
[M+HCOO]- 257.074331 162.9
[M+CH3COO]- 271.089981 188.6
[M+Na-2H]- 233.050796 143.0
[M]+ 212.07558142 136.4
[M]- 212.07667858 136.4
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

No patent data available for this compound.