CID 175133

72727-69-6

Structural Information

Molecular Formula

C₁₀H₁₀Br₂O₂

SMILES

CC1=CC(=C(C=C1Br)Br)OCC2CO2

InChI

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

InChIKey

ZBJLKYJROIWGKA-UHFFFAOYSA-N

Compound name

2-[(2,4-dibromo-5-methylphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
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	150.1
[M+Na]+	342.89397	163.1
[M-H]-	318.89747	160.7
[M+NH4]+	337.93857	164.5
[M+K]+	358.86791	148.9
[M+H-H2O]+	302.90201	157.0
[M+HCOO]-	364.90295	166.3
[M+CH3COO]-	378.91860	208.8
[M+Na-2H]-	340.87942	157.0
[M]+	319.90420	187.0
[M]-	319.90530	187.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe