CID 817273

Methyl 2,6-dibromobenzoate

Structural Information

Molecular Formula

C₈H₆Br₂O₂

SMILES

COC(=O)C1=C(C=CC=C1Br)Br

InChI

InChI=1S/C8H6Br2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3

InChIKey

XBRJXFYZADAIRU-UHFFFAOYSA-N

Compound name

methyl 2,6-dibromobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 291.87344 Da
Monoisotopic Mass: 3.9
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]+	292.88072	143.9
[M+Na]+	314.86266	139.4
[M+NH4]+	309.90726	145.9
[M+K]+	330.83660	146.0
[M-H]-	290.86616	144.5
[M+Na-2H]-	312.84811	145.7
[M]+	291.87289	142.3
[M]-	291.87399	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe