CID 3035339

[(dibromomethylphenoxy)methyl]oxirane

Structural Information

Molecular Formula

C₁₀H₁₀Br₂O₂

SMILES

C1C(O1)COC2=CC=CC=C2C(Br)Br

InChI

InChI=1S/C10H10Br2O2/c11-10(12)8-3-1-2-4-9(8)14-6-7-5-13-7/h1-4,7,10H,5-6H2

InChIKey

RUBIQRSGTVJYHR-UHFFFAOYSA-N

Compound name

2-[[2-(dibromomethyl)phenoxy]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 319.90475 Da
Monoisotopic Mass: 3.0
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]+	320.912026	151.8
[M+Na]+	342.893968	163.3
[M-H]-	318.897474	161.9
[M+NH4]+	337.938573	165.7
[M+K]+	358.867908	149.6
[M+H-H2O]+	302.902010	158.7
[M+HCOO]-	364.902951	167.4
[M+CH3COO]-	378.918601	207.7
[M+Na-2H]-	340.879416	158.8
[M]+	319.90420142	187.7
[M]-	319.90529858	187.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe