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

54
Patents

271.0008 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.00808 153.4
[M+Na]+ 293.99002 165.4
[M-H]- 269.99352 160.3
[M+NH4]+ 289.03462 174.1
[M+K]+ 309.96396 153.7
[M+H-H2O]+ 253.99806 152.1
[M+HCOO]- 315.99900 172.4
[M+CH3COO]- 330.01465 193.3
[M+Na-2H]- 291.97547 156.7
[M]+ 271.00025 169.4
[M]- 271.00135 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