CID 61972

25327-89-3

Structural Information

Molecular Formula
C21H20Br4O2
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)OCC=C)Br)C2=CC(=C(C(=C2)Br)OCC=C)Br
InChI
InChI=1S/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3
InChIKey
PWXTUWQHMIFLKL-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1293
Patents

619.8197 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.82698 180.3
[M+Na]+ 642.80892 185.3
[M-H]- 618.81242 184.9
[M+NH4]+ 637.85352 187.9
[M+K]+ 658.78286 172.1
[M+H-H2O]+ 602.81696 197.3
[M+HCOO]- 664.81790 184.3
[M+CH3COO]- 678.83355 247.7
[M+Na-2H]- 640.79437 179.6
[M]+ 619.81915 219.7
[M]- 619.82025 219.7
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

patents stripe