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

12
Patents

290.94617 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.95345 154.0
[M+Na]+ 313.93539 168.3
[M-H]- 289.93889 161.2
[M+NH4]+ 308.97999 175.1
[M+K]+ 329.90933 154.9
[M+H-H2O]+ 273.94343 153.6
[M+HCOO]- 335.94437 168.9
[M+CH3COO]- 349.96002 195.1
[M+Na-2H]- 311.92084 156.9
[M]+ 290.94562 171.9
[M]- 290.94672 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