CID 63789107

3-bromo-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C12H13BrFNO
SMILES
CC(C1=CC=C(C=C1)F)N2CCC(C2=O)Br
InChI
InChI=1S/C12H13BrFNO/c1-8(9-2-4-10(14)5-3-9)15-7-6-11(13)12(15)16/h2-5,8,11H,6-7H2,1H3
InChIKey
ZJANZAHNNZICIN-UHFFFAOYSA-N
Compound name
3-bromo-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.01645 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02373 158.4
[M+Na]+ 308.00567 169.7
[M-H]- 284.00917 165.2
[M+NH4]+ 303.05027 178.6
[M+K]+ 323.97961 158.3
[M+H-H2O]+ 268.01371 157.1
[M+HCOO]- 330.01465 176.2
[M+CH3COO]- 344.03030 196.9
[M+Na-2H]- 305.99112 160.1
[M]+ 285.01590 174.2
[M]- 285.01700 174.2
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