CID 5362582

75150-13-9

Structural Information

Molecular Formula

C₁₀H₁₀Br₂O₂

SMILES

CC1=CC(=CC(=C1OCC2CO2)Br)Br

InChI

InChI=1S/C10H10Br2O2/c1-6-2-7(11)3-9(12)10(6)14-5-8-4-13-8/h2-3,8H,4-5H2,1H3

InChIKey

XQTJZNGNEJLXTR-UHFFFAOYSA-N

Compound name

2-[(2,4-dibromo-6-methylphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 319.90475 Da
Monoisotopic Mass: 3.3
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]+	320.91203	141.5
[M+Na]+	342.89397	139.0
[M+NH4]+	337.93857	144.3
[M+K]+	358.86791	145.9
[M-H]-	318.89747	147.5
[M+Na-2H]-	340.87942	145.6
[M]+	319.90420	142.5
[M]-	319.90530	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe