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]+ 241.98113 132.2
[M+Na]+ 263.96307 142.5
[M-H]- 239.96657 138.9
[M+NH4]+ 259.00767 145.6
[M+K]+ 279.93701 134.7
[M+H-H2O]+ 223.97111 127.1
[M+HCOO]- 285.97205 150.8
[M+CH3COO]- 299.98770 188.5
[M+Na-2H]- 261.94852 140.0
[M]+ 240.97330 157.2
[M]- 240.97440 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.