CID 4563

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

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

13
References

5
Patents

497.71014 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.717416 156.7
[M+Na]+ 520.699358 162.4
[M-H]- 496.702864 161.3
[M+NH4]+ 515.743963 165.9
[M+K]+ 536.673298 150.0
[M+H-H2O]+ 480.707400 174.7
[M+HCOO]- 542.708341 162.1
[M+CH3COO]- 556.723991 238.5
[M+Na-2H]- 518.684806 158.6
[M]+ 497.70959142 195.5
[M]- 497.71068858 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