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]+ 213.08341 141.9
[M+Na]+ 235.06535 151.3
[M-H]- 211.06885 144.9
[M+NH4]+ 230.10995 160.9
[M+K]+ 251.03929 147.4
[M+H-H2O]+ 195.07339 133.4
[M+HCOO]- 257.07433 162.9
[M+CH3COO]- 271.08998 188.6
[M+Na-2H]- 233.05080 143.0
[M]+ 212.07558 136.4
[M]- 212.07668 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.