CID 12979290

223555-95-1

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1COC(=O)N1C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO2/c10-7-1-3-8(4-2-7)11-5-6-13-9(11)12/h1-4H,5-6H2
InChIKey
FJGPGFCQWYNYPR-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

240.97385 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 143.7
[M+Na]+ 263.96307 155.6
[M-H]- 239.96657 152.5
[M+NH4]+ 259.00767 164.2
[M+K]+ 279.93701 146.4
[M+H-H2O]+ 223.97111 143.6
[M+HCOO]- 285.97205 163.8
[M+CH3COO]- 299.98770 186.0
[M+Na-2H]- 261.94852 150.2
[M]+ 240.97330 161.8
[M]- 240.97440 161.8
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

patents stripe