CID 99519

1,4-bis(bromomethoxy)butane

Structural Information

Molecular Formula

C₆H₁₂Br₂O₂

SMILES

C(CCOCBr)COCBr

InChI

InChI=1S/C6H12Br2O2/c7-5-9-3-1-2-4-10-6-8/h1-6H2

InChIKey

LHTXHHKJVUNIOQ-UHFFFAOYSA-N

Compound name

1,4-bis(bromomethoxy)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 273.9204 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]+	274.927676	137.4
[M+Na]+	296.909618	147.5
[M-H]-	272.913124	141.2
[M+NH4]+	291.954223	157.3
[M+K]+	312.883558	132.7
[M+H-H2O]+	256.917660	145.1
[M+HCOO]-	318.918601	153.7
[M+CH3COO]-	332.934251	199.9
[M+Na-2H]-	294.895066	145.1
[M]+	273.91985142	174.0
[M]-	273.92094858	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe