CID 16244493

3-bromooxetane

Structural Information

Molecular Formula

SMILES

C1C(CO1)Br

InChI

InChI=1S/C3H5BrO/c4-3-1-5-2-3/h3H,1-2H2

InChIKey

SZTIZZFKWQWSSP-UHFFFAOYSA-N

Compound name

3-bromooxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1064
Patents: 135.95238 Da
Monoisotopic Mass: 0.7
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]+	136.959656	106.4
[M+Na]+	158.941598	116.7
[M-H]-	134.945104	113.5
[M+NH4]+	153.986203	124.4
[M+K]+	174.915538	112.3
[M+H-H2O]+	118.949640	103.5
[M+HCOO]-	180.950581	126.8
[M+CH3COO]-	194.966231	173.2
[M+Na-2H]-	156.927046	117.8
[M]+	135.95183142	131.9
[M]-	135.95292858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe