CID 3086109

3,5-dibromo-2-(2,4-dibromophenoxy)phenol

Structural Information

Molecular Formula
C12H6Br4O2
SMILES
C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)O
InChI
InChI=1S/C12H6Br4O2/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5,17H
InChIKey
SNCQITRZEBFIRW-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-(2,4-dibromophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

26
Patents

497.71014 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.71742 156.7
[M+Na]+ 520.69936 162.4
[M-H]- 496.70286 161.3
[M+NH4]+ 515.74396 165.9
[M+K]+ 536.67330 150.0
[M+H-H2O]+ 480.70740 174.7
[M+HCOO]- 542.70834 162.1
[M+CH3COO]- 556.72399 238.5
[M+Na-2H]- 518.68481 158.6
[M]+ 497.70959 195.5
[M]- 497.71069 195.5
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