CID 121553296

4-(4-bromophenoxy)azetidin-2-one

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1C(NC1=O)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO2/c10-6-1-3-7(4-2-6)13-9-5-8(12)11-9/h1-4,9H,5H2,(H,11,12)
InChIKey
NQEVODJKSGEQMS-UHFFFAOYSA-N
Compound name
4-(4-bromophenoxy)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 132.2
[M+Na]+ 263.963068 142.5
[M-H]- 239.966574 138.9
[M+NH4]+ 259.007673 145.6
[M+K]+ 279.937008 134.7
[M+H-H2O]+ 223.971110 127.1
[M+HCOO]- 285.972051 150.8
[M+CH3COO]- 299.987701 188.5
[M+Na-2H]- 261.948516 140.0
[M]+ 240.97330142 157.2
[M]- 240.97439858 157.2
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

No patent data available for this compound.