CID 21815181

3-bromo-1-(3,4-dichlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H8BrCl2NO
SMILES
C1CN(C(=O)C1Br)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H8BrCl2NO/c11-7-3-4-14(10(7)15)6-1-2-8(12)9(13)5-6/h1-2,5,7H,3-4H2
InChIKey
VUXMKBJIESFMLX-UHFFFAOYSA-N
Compound name
3-bromo-1-(3,4-dichlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.91663 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.92391 156.1
[M+Na]+ 329.90585 170.8
[M-H]- 305.90935 163.9
[M+NH4]+ 324.95045 177.0
[M+K]+ 345.87979 156.6
[M+H-H2O]+ 289.91389 156.9
[M+HCOO]- 351.91483 167.1
[M+CH3COO]- 365.93048 196.8
[M+Na-2H]- 327.89130 159.0
[M]+ 306.91608 175.7
[M]- 306.91718 175.7
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.