CID 62759

22421-59-6

Structural Information

Molecular Formula

C₁₀H₁₀Br₂O₂

SMILES

CC1=CC(=C(C(=C1)Br)OCC2CO2)Br

InChI

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

InChIKey

XWEPFVUYXGEZOY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
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