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
2
Annotation Hits

19
References

6657
Patents

327.7734 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.780676 132.9
[M+Na]+ 350.762618 141.7
[M-H]- 326.766124 138.1
[M+NH4]+ 345.807223 148.3
[M+K]+ 366.736558 126.3
[M+H-H2O]+ 310.770660 148.0
[M+HCOO]- 372.771601 143.2
[M+CH3COO]- 386.787251 215.9
[M+Na-2H]- 348.748066 138.9
[M]+ 327.77285142 173.2
[M]- 327.77394858 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

literature stripe

Patent stripe

patents stripe