CID 32928

Phenol, tribromo-

Structural Information

Molecular Formula
C6H3Br3O
SMILES
C1=CC(=C(C(=C1O)Br)Br)Br
InChI
InChI=1S/C6H3Br3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey
OUCSIUCEQVCDEL-UHFFFAOYSA-N
Compound name
2,3,4-tribromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

6608
Patents

327.7734 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.78068 132.9
[M+Na]+ 350.76262 141.7
[M-H]- 326.76612 138.1
[M+NH4]+ 345.80722 148.3
[M+K]+ 366.73656 126.3
[M+H-H2O]+ 310.77066 148.0
[M+HCOO]- 372.77160 143.2
[M+CH3COO]- 386.78725 215.9
[M+Na-2H]- 348.74807 138.9
[M]+ 327.77285 173.2
[M]- 327.77395 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.