CID 63788392

3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H9BrFNO
SMILES
C1CN(C(=O)C1Br)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9BrFNO/c11-9-5-6-13(10(9)14)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2
InChIKey
JOGRIGISZKFETF-UHFFFAOYSA-N
Compound name
3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.98514 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99242 148.7
[M+Na]+ 279.97436 161.1
[M-H]- 255.97786 155.8
[M+NH4]+ 275.01896 170.0
[M+K]+ 295.94830 149.8
[M+H-H2O]+ 239.98240 147.7
[M+HCOO]- 301.98334 168.1
[M+CH3COO]- 315.99899 190.5
[M+Na-2H]- 277.95981 152.6
[M]+ 256.98459 164.5
[M]- 256.98569 164.5
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

No patent data available for this compound.