CID 11801671

Phenol, 3,4,5-tribromo-2-(3,5-dibromo-2-hydroxyphenoxy)-

Structural Information

Molecular Formula
C12H5Br5O3
SMILES
C1=C(C=C(C(=C1OC2=C(C(=C(C=C2O)Br)Br)Br)O)Br)Br
InChI
InChI=1S/C12H5Br5O3/c13-4-1-6(15)11(19)8(2-4)20-12-7(18)3-5(14)9(16)10(12)17/h1-3,18-19H
InChIKey
WMMMSBGZKIDZDQ-UHFFFAOYSA-N
Compound name
3,4,5-tribromo-2-(3,5-dibromo-2-hydroxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

591.61554 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.62282 170.5
[M+Na]+ 614.60476 176.8
[M-H]- 590.60826 173.9
[M+NH4]+ 609.64936 176.8
[M+K]+ 630.57870 166.0
[M+H-H2O]+ 574.61280 187.3
[M+HCOO]- 636.61374 173.2
[M+CH3COO]- 650.62939 247.2
[M+Na-2H]- 612.59021 169.7
[M]+ 591.61499 200.8
[M]- 591.61609 200.8
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