CID 18533301

3,3'-dibromo-4,4'-biphenol

Structural Information

Molecular Formula
C12H8Br2O2
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)O)Br)Br)O
InChI
InChI=1S/C12H8Br2O2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6,15-16H
InChIKey
RJGXLSPAKXWJGN-UHFFFAOYSA-N
Compound name
2-bromo-4-(3-bromo-4-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

341.8891 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.89638 151.3
[M+Na]+ 364.87832 162.0
[M-H]- 340.88182 158.7
[M+NH4]+ 359.92292 168.1
[M+K]+ 380.85226 146.1
[M+H-H2O]+ 324.88636 159.1
[M+HCOO]- 386.88730 165.9
[M+CH3COO]- 400.90295 206.2
[M+Na-2H]- 362.86377 157.0
[M]+ 341.88855 184.4
[M]- 341.88965 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe