CID 76885

2,4,6-tribromobenzene-1,3,5-triol

Structural Information

Molecular Formula
C6H3Br3O3
SMILES
C1(=C(C(=C(C(=C1Br)O)Br)O)Br)O
InChI
InChI=1S/C6H3Br3O3/c7-1-4(10)2(8)6(12)3(9)5(1)11/h10-12H
InChIKey
FVXWNUUQRAHIRN-UHFFFAOYSA-N
Compound name
2,4,6-tribromobenzene-1,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

359.76324 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.77052 137.2
[M+Na]+ 382.75246 145.5
[M-H]- 358.75596 140.8
[M+NH4]+ 377.79706 150.9
[M+K]+ 398.72640 129.6
[M+H-H2O]+ 342.76050 151.4
[M+HCOO]- 404.76144 145.6
[M+CH3COO]- 418.77709 216.8
[M+Na-2H]- 380.73791 141.4
[M]+ 359.76269 176.9
[M]- 359.76379 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe