CID 18978811

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

Structural Information

Molecular Formula
C11H11BrFNO
SMILES
C1CN(C(=O)C1Br)CC2=CC=C(C=C2)F
InChI
InChI=1S/C11H11BrFNO/c12-10-5-6-14(11(10)15)7-8-1-3-9(13)4-2-8/h1-4,10H,5-7H2
InChIKey
HDTQESZNKSYXKN-UHFFFAOYSA-N
Compound name
3-bromo-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

271.0008 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.008076 153.4
[M+Na]+ 293.990018 165.4
[M-H]- 269.993524 160.3
[M+NH4]+ 289.034623 174.1
[M+K]+ 309.963958 153.7
[M+H-H2O]+ 253.998060 152.1
[M+HCOO]- 315.999001 172.4
[M+CH3COO]- 330.014651 193.3
[M+Na-2H]- 291.975466 156.7
[M]+ 271.00025142 169.4
[M]- 271.00134858 169.4
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