CID 74281451

2,6-dibromo-4-(2,4-dibromophenoxy)phenol

Structural Information

Molecular Formula
C12H6Br4O2
SMILES
C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C12H6Br4O2/c13-6-1-2-11(8(14)3-6)18-7-4-9(15)12(17)10(16)5-7/h1-5,17H
InChIKey
XPEXQXQNICTMKI-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-(2,4-dibromophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.