CID 21938561

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

Structural Information

Molecular Formula
C10H9BrFNO
SMILES
C1CC(=O)N(C1)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C10H9BrFNO/c11-7-3-4-9(8(12)6-7)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2
InChIKey
CKTMNWZSXNKEPM-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-fluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

256.98514 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.992416 148.7
[M+Na]+ 279.974358 161.1
[M-H]- 255.977864 155.8
[M+NH4]+ 275.018963 170.0
[M+K]+ 295.948298 149.8
[M+H-H2O]+ 239.982400 147.7
[M+HCOO]- 301.983341 168.1
[M+CH3COO]- 315.998991 190.5
[M+Na-2H]- 277.959806 152.6
[M]+ 256.98459142 164.5
[M]- 256.98568858 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

patents stripe