CID 7022291

2-bromo-4-(2-hydroxyethoxy)-5-methoxybenzonitrile

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₃

SMILES

COC1=C(C=C(C(=C1)C#N)Br)OCCO

InChI

InChI=1S/C10H10BrNO3/c1-14-9-4-7(6-12)8(11)5-10(9)15-3-2-13/h4-5,13H,2-3H2,1H3

InChIKey

IEYASXGZDIWRMO-UHFFFAOYSA-N

Compound name

2-bromo-4-(2-hydroxyethoxy)-5-methoxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 383
Patents: 270.9844 Da
Monoisotopic Mass: 1.6
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]+	271.991676	144.4
[M+Na]+	293.973618	158.1
[M-H]-	269.977124	148.1
[M+NH4]+	289.018223	162.2
[M+K]+	309.947558	147.1
[M+H-H2O]+	253.981660	137.5
[M+HCOO]-	315.982601	164.0
[M+CH3COO]-	329.998251	203.1
[M+Na-2H]-	291.959066	150.3
[M]+	270.98385142	159.3
[M]-	270.98494858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe