CID 13594296

4-(4-bromophenyl)azetidin-2-one

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1C(NC1=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKey
YSIKXVRYGIZALB-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.97893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.986206 130.0
[M+Na]+ 247.968148 140.7
[M-H]- 223.971654 136.8
[M+NH4]+ 243.012753 144.2
[M+K]+ 263.942088 132.2
[M+H-H2O]+ 207.976190 125.3
[M+HCOO]- 269.977131 148.5
[M+CH3COO]- 283.992781 186.6
[M+Na-2H]- 245.953596 137.8
[M]+ 224.97838142 153.7
[M]- 224.97947858 153.7
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

No patent data available for this compound.