CID 116141

4,6-dibromo-2-methylresorcinol

Structural Information

Molecular Formula

C₇H₆Br₂O₂

SMILES

CC1=C(C(=CC(=C1O)Br)Br)O

InChI

InChI=1S/C7H6Br2O2/c1-3-6(10)4(8)2-5(9)7(3)11/h2,10-11H,1H3

InChIKey

NJIVTNAPTHUGDR-UHFFFAOYSA-N

Compound name

4,6-dibromo-2-methylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 279.87344 Da
Monoisotopic Mass: 3.0
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]+	280.88072	135.1
[M+Na]+	302.86266	147.1
[M-H]-	278.86616	140.4
[M+NH4]+	297.90726	154.2
[M+K]+	318.83660	131.2
[M+H-H2O]+	262.87070	143.3
[M+HCOO]-	324.87164	149.9
[M+CH3COO]-	338.88729	198.1
[M+Na-2H]-	300.84811	141.3
[M]+	279.87289	168.5
[M]-	279.87399	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe