CID 11847

2,6-dibromophenol

Structural Information

Molecular Formula
C6H4Br2O
SMILES
C1=CC(=C(C(=C1)Br)O)Br
InChI
InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
SSIZLKDLDKIHEV-UHFFFAOYSA-N
Compound name
2,6-dibromophenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

52
References

2659
Patents

249.86288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.870156 128.9
[M+Na]+ 272.852098 140.7
[M-H]- 248.855604 135.1
[M+NH4]+ 267.896703 149.3
[M+K]+ 288.826038 125.4
[M+H-H2O]+ 232.860140 137.7
[M+HCOO]- 294.861081 145.2
[M+CH3COO]- 308.876731 194.4
[M+Na-2H]- 270.837546 137.3
[M]+ 249.86233142 162.1
[M]- 249.86342858 162.1
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