CID 216395

5-bromodihydrofuran-2(3h)-one

Structural Information

Molecular Formula

SMILES

C1CC(=O)OC1Br

InChI

InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7-3/h3H,1-2H2

InChIKey

SRXYQTZEGZGPCA-UHFFFAOYSA-N

Compound name

5-bromooxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 394
Patents: 163.9473 Da
Monoisotopic Mass: 1.1
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]+	164.954576	125.6
[M+Na]+	186.936518	137.6
[M-H]-	162.940024	132.6
[M+NH4]+	181.981123	150.2
[M+K]+	202.910458	129.6
[M+H-H2O]+	146.944560	127.1
[M+HCOO]-	208.945501	146.8
[M+CH3COO]-	222.961151	172.6
[M+Na-2H]-	184.921966	133.4
[M]+	163.94675142	143.2
[M]-	163.94784858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe