CID 198433

62825-92-7

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

C1C(OC(=O)N1)CC2=CC=CC=C2Br

InChI

InChI=1S/C10H10BrNO2/c11-9-4-2-1-3-7(9)5-8-6-12-10(13)14-8/h1-4,8H,5-6H2,(H,12,13)

InChIKey

WEELDJDMRQTFIE-UHFFFAOYSA-N

Compound name

5-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 254.98949 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.99677	149.4
[M+Na]+	277.97871	160.4
[M-H]-	253.98221	156.6
[M+NH4]+	273.02331	168.6
[M+K]+	293.95265	150.0
[M+H-H2O]+	237.98675	149.2
[M+HCOO]-	299.98769	167.7
[M+CH3COO]-	314.00334	186.4
[M+Na-2H]-	275.96416	154.8
[M]+	254.98894	166.0
[M]-	254.99004	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe