CID 32929

3,4,5-tribromophenol

Structural Information

Molecular Formula
C6H3Br3O
SMILES
C1=C(C=C(C(=C1Br)Br)Br)O
InChI
InChI=1S/C6H3Br3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey
KAVNMOZXRFSVPM-UHFFFAOYSA-N
Compound name
3,4,5-tribromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
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 149.9
[M+Na]+ 350.76262 143.1
[M+NH4]+ 345.80722 151.2
[M+K]+ 366.73656 151.6
[M-H]- 326.76612 151.7
[M+Na-2H]- 348.74807 151.4
[M]+ 327.77285 149.3
[M]- 327.77395 149.3
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