CID 63789826

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

Structural Information

Molecular Formula
C10H8BrClFNO
SMILES
C1CN(C(=O)C1Br)C2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C10H8BrClFNO/c11-7-3-4-14(10(7)15)6-1-2-8(12)9(13)5-6/h1-2,5,7H,3-4H2
InChIKey
NTVZXXGNHBUOJV-UHFFFAOYSA-N
Compound name
3-bromo-1-(4-chloro-3-fluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

290.94617 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.953446 154.0
[M+Na]+ 313.935388 168.3
[M-H]- 289.938894 161.2
[M+NH4]+ 308.979993 175.1
[M+K]+ 329.909328 154.9
[M+H-H2O]+ 273.943430 153.6
[M+HCOO]- 335.944371 168.9
[M+CH3COO]- 349.960021 195.1
[M+Na-2H]- 311.920836 156.9
[M]+ 290.94562142 171.9
[M]- 290.94671858 171.9
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