CID 1494335

3,5-dibromo-2-methoxybenzaldehyde

Structural Information

Molecular Formula

C₈H₆Br₂O₂

SMILES

COC1=C(C=C(C=C1Br)Br)C=O

InChI

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

InChIKey

NJFNLMDSRHQQNR-UHFFFAOYSA-N

Compound name

3,5-dibromo-2-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 291.87344 Da
Monoisotopic Mass: 2.7
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	145.4
[M+Na]+	314.86266	141.2
[M+NH4]+	309.90726	147.4
[M+K]+	330.83660	147.4
[M-H]-	290.86616	146.1
[M+Na-2H]-	312.84811	147.1
[M]+	291.87289	143.9
[M]-	291.87399	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe