CID 14786209

85141-94-2

Structural Information

Molecular Formula

C₈H₁₇BrO₄

SMILES

C(COCCOCCOCCBr)O

InChI

InChI=1S/C8H17BrO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-8H2

InChIKey

CERQCRALBKUCTF-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 256.031 Da
Monoisotopic Mass: -0.1
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]+	257.038276	149.5
[M+Na]+	279.020218	158.6
[M-H]-	255.023724	150.5
[M+NH4]+	274.064823	169.4
[M+K]+	294.994158	148.8
[M+H-H2O]+	239.028260	149.1
[M+HCOO]-	301.029201	169.4
[M+CH3COO]-	315.044851	188.6
[M+Na-2H]-	277.005666	156.0
[M]+	256.03045142	173.3
[M]-	256.03154858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe