CID 72706043

1179321-69-7

Structural Information

Molecular Formula

C₉H₁₀Br₂O₂

SMILES

COC(C1=C(C=C(C=C1)Br)Br)OC

InChI

InChI=1S/C9H10Br2O2/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3

InChIKey

UXVWMCQDSXCBBQ-UHFFFAOYSA-N

Compound name

2,4-dibromo-1-(dimethoxymethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.90475 Da
Monoisotopic Mass: 2.9
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]+	308.91203	143.3
[M+Na]+	330.89397	154.1
[M-H]-	306.89747	150.2
[M+NH4]+	325.93857	162.3
[M+K]+	346.86791	139.7
[M+H-H2O]+	290.90201	151.2
[M+HCOO]-	352.90295	159.3
[M+CH3COO]-	366.91860	205.3
[M+Na-2H]-	328.87942	149.6
[M]+	307.90420	179.3
[M]-	307.90530	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe