CID 899668

1-(3-bromophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
C1CC(=O)N(C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H10BrNO/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2
InChIKey
QKSLLUAHJIQQGI-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

98
Patents

238.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 145.3
[M+Na]+ 261.98380 156.9
[M-H]- 237.98730 153.4
[M+NH4]+ 257.02840 167.1
[M+K]+ 277.95774 146.0
[M+H-H2O]+ 221.99184 145.0
[M+HCOO]- 283.99278 165.8
[M+CH3COO]- 298.00843 186.9
[M+Na-2H]- 259.96925 150.5
[M]+ 238.99403 161.8
[M]- 238.99513 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe