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

177
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

literature stripe

Patent stripe

patents stripe