CID 12005

2,4-dibromophenol

Structural Information

Molecular Formula
C6H4Br2O
SMILES
C1=CC(=C(C=C1Br)Br)O
InChI
InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
FAXWFCTVSHEODL-UHFFFAOYSA-N
Compound name
2,4-dibromophenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

71
References

1957
Patents

249.86288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.87016 128.9
[M+Na]+ 272.85210 140.7
[M-H]- 248.85560 135.1
[M+NH4]+ 267.89670 149.3
[M+K]+ 288.82604 125.4
[M+H-H2O]+ 232.86014 137.7
[M+HCOO]- 294.86108 145.2
[M+CH3COO]- 308.87673 194.4
[M+Na-2H]- 270.83755 137.3
[M]+ 249.86233 162.1
[M]- 249.86343 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