CID 63272733

1-(2-amino-5-fluorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H11FN2O
SMILES
C1CC(=O)N(C1)C2=C(C=CC(=C2)F)N
InChI
InChI=1S/C10H11FN2O/c11-7-3-4-8(12)9(6-7)13-5-1-2-10(13)14/h3-4,6H,1-2,5,12H2
InChIKey
FXRWAXTWRDHTMT-UHFFFAOYSA-N
Compound name
1-(2-amino-5-fluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.08554 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09282 139.3
[M+Na]+ 217.07476 147.8
[M-H]- 193.07826 143.3
[M+NH4]+ 212.11936 158.9
[M+K]+ 233.04870 144.3
[M+H-H2O]+ 177.08280 131.5
[M+HCOO]- 239.08374 161.4
[M+CH3COO]- 253.09939 184.6
[M+Na-2H]- 215.06021 141.7
[M]+ 194.08499 134.5
[M]- 194.08609 134.5
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