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: 1105
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	125.7
[M+Na]+	186.97289	128.3
[M+NH4]+	182.01749	131.8
[M+K]+	202.94683	128.6
[M-H]-	162.97639	127.7
[M+Na-2H]-	184.95834	128.8
[M]+	163.98312	125.4
[M]-	163.98422	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe