CID 59515478

943910-35-8

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1C(OC(=O)N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO2/c10-7-3-1-6(2-4-7)8-5-11-9(12)13-8/h1-4,8H,5H2,(H,11,12)
InChIKey
FWGFASQLOPSRHI-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

240.97385 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 144.8
[M+Na]+ 263.96307 156.2
[M-H]- 239.96657 152.2
[M+NH4]+ 259.00767 164.5
[M+K]+ 279.93701 146.0
[M+H-H2O]+ 223.97111 144.7
[M+HCOO]- 285.97205 163.4
[M+CH3COO]- 299.98770 183.6
[M+Na-2H]- 261.94852 150.7
[M]+ 240.97330 161.1
[M]- 240.97440 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