CID 23249466

1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene

Structural Information

Molecular Formula
C13H8Br4O2
SMILES
COC1=C(C(=CC(=C1)Br)Br)OC2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C13H8Br4O2/c1-18-12-6-8(15)5-10(17)13(12)19-11-3-2-7(14)4-9(11)16/h2-6H,1H3
InChIKey
ASWWOOJPWUMGBW-UHFFFAOYSA-N
Compound name
1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

7
Patents

511.72577 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.73305 157.7
[M+Na]+ 534.71499 163.5
[M-H]- 510.71849 162.8
[M+NH4]+ 529.75959 167.0
[M+K]+ 550.68893 151.4
[M+H-H2O]+ 494.72303 175.7
[M+HCOO]- 556.72397 163.5
[M+CH3COO]- 570.73962 240.2
[M+Na-2H]- 532.70044 159.7
[M]+ 511.72522 197.2
[M]- 511.72632 197.2
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