CID 2736819

Methyl 3,4-bis(bromomethyl)benzoate

Structural Information

Molecular Formula

C₁₀H₁₀Br₂O₂

SMILES

COC(=O)C1=CC(=C(C=C1)CBr)CBr

InChI

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

InChIKey

PZOQMRZOUBBQFO-UHFFFAOYSA-N

Compound name

methyl 3,4-bis(bromomethyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 319.90475 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]+	320.91203	150.9
[M+Na]+	342.89397	146.1
[M+NH4]+	337.93857	152.7
[M+K]+	358.86791	152.3
[M-H]-	318.89747	151.4
[M+Na-2H]-	340.87942	152.2
[M]+	319.90420	149.2
[M]-	319.90530	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe