CID 11819432

57641-66-4

Structural Information

Molecular Formula

SMILES

C(COCCBr)O

InChI

InChI=1S/C4H9BrO2/c5-1-3-7-4-2-6/h6H,1-4H2

InChIKey

JTOJLOUPDKBCCH-UHFFFAOYSA-N

Compound name

2-(2-bromoethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 167.97859 Da
Monoisotopic Mass: 0.2
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]+	168.985866	127.0
[M+Na]+	190.967808	137.9
[M-H]-	166.971314	128.8
[M+NH4]+	186.012413	150.3
[M+K]+	206.941748	128.3
[M+H-H2O]+	150.975850	128.0
[M+HCOO]-	212.976791	147.8
[M+CH3COO]-	226.992441	173.7
[M+Na-2H]-	188.953256	135.5
[M]+	167.97804142	146.7
[M]-	167.97913858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe