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]+ 225.98621 130.0
[M+Na]+ 247.96815 140.7
[M-H]- 223.97165 136.8
[M+NH4]+ 243.01275 144.2
[M+K]+ 263.94209 132.2
[M+H-H2O]+ 207.97619 125.3
[M+HCOO]- 269.97713 148.5
[M+CH3COO]- 283.99278 186.6
[M+Na-2H]- 245.95360 137.8
[M]+ 224.97838 153.7
[M]- 224.97948 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.