CID 63789804

3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C11H9BrF3NO
SMILES
C1CN(C(=O)C1Br)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H9BrF3NO/c12-8-5-6-16(10(8)17)9-4-2-1-3-7(9)11(13,14)15/h1-4,8H,5-6H2
InChIKey
JZGPSOHIBDAEBK-UHFFFAOYSA-N
Compound name
3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.98196 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.98924 162.6
[M+Na]+ 329.97118 175.1
[M-H]- 305.97468 167.2
[M+NH4]+ 325.01578 181.9
[M+K]+ 345.94512 162.9
[M+H-H2O]+ 289.97922 160.1
[M+HCOO]- 351.98016 178.1
[M+CH3COO]- 365.99581 198.1
[M+Na-2H]- 327.95663 165.2
[M]+ 306.98141 175.8
[M]- 306.98251 175.8
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.