CID 61127

Tetrabromocatechol

Structural Information

Molecular Formula

C₆H₂Br₄O₂

SMILES

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

InChI

InChI=1S/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

InChIKey

OAUWOBSDSJNJQP-UHFFFAOYSA-N

Compound name

3,4,5,6-tetrabromobenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 360
Patents: 421.67883 Da
Monoisotopic Mass: 4.0
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]+	422.68611	159.8
[M+Na]+	444.66805	154.9
[M+NH4]+	439.71265	160.7
[M+K]+	460.64199	161.3
[M-H]-	420.67155	161.7
[M+Na-2H]-	442.65350	161.0
[M]+	421.67828	160.1
[M]-	421.67938	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe