CID 12793541

4-(4-bromophenyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1C(NC(=O)O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKey
ZMFGCUVSMQUNBH-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.97385 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 144.8
[M+Na]+ 263.963068 156.2
[M-H]- 239.966574 152.2
[M+NH4]+ 259.007673 164.5
[M+K]+ 279.937008 146.0
[M+H-H2O]+ 223.971110 144.7
[M+HCOO]- 285.972051 163.4
[M+CH3COO]- 299.987701 183.6
[M+Na-2H]- 261.948516 150.7
[M]+ 240.97330142 161.1
[M]- 240.97439858 161.1
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

patents stripe