CID 13349654

4-bromotetrahydropyran

Structural Information

Molecular Formula

SMILES

C1COCCC1Br

InChI

InChI=1S/C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2

InChIKey

IVBVKTPDEWDNRW-UHFFFAOYSA-N

Compound name

4-bromooxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1218
Patents: 163.98367 Da
Monoisotopic Mass: 1.4
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]+	164.99095	127.2
[M+Na]+	186.97289	136.6
[M-H]-	162.97639	133.5
[M+NH4]+	182.01749	149.9
[M+K]+	202.94683	128.7
[M+H-H2O]+	146.98093	128.2
[M+HCOO]-	208.98187	145.7
[M+CH3COO]-	222.99752	173.6
[M+Na-2H]-	184.95834	136.4
[M]+	163.98312	142.2
[M]-	163.98422	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe