CID 10831270

2,6-dibromo-4-phenoxyphenol

Structural Information

Molecular Formula
C12H8Br2O2
SMILES
C1=CC=C(C=C1)OC2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H
InChIKey
CRSZEDOZGJPOHP-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

341.8891 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.89638 150.6
[M+Na]+ 364.87832 161.2
[M-H]- 340.88182 158.9
[M+NH4]+ 359.92292 167.8
[M+K]+ 380.85226 146.0
[M+H-H2O]+ 324.88636 158.4
[M+HCOO]- 386.88730 166.5
[M+CH3COO]- 400.90295 207.1
[M+Na-2H]- 362.86377 157.3
[M]+ 341.88855 184.9
[M]- 341.88965 184.9
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