CID 129846013

2-bromoallyl-2,4,6-tribromophenyl ether

Structural Information

Molecular Formula
C18H10Br8O
SMILES
C=C(CC1=C(C(=C(C=C1Br)Br)OC2=C(C=C(C(=C2Br)CC(=C)Br)Br)Br)Br)Br
InChI
InChI=1S/C18H10Br8O/c1-7(19)3-9-11(21)5-13(23)17(15(9)25)27-18-14(24)6-12(22)10(16(18)26)4-8(2)20/h5-6H,1-4H2
InChIKey
VXHHRTJXTBGSOO-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-(2-bromoprop-2-enyl)-4-[2,4,6-tribromo-3-(2-bromoprop-2-enyl)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

873.41986 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 874.42714 176.5
[M+Na]+ 896.40908 186.7
[M-H]- 872.41258 180.1
[M+NH4]+ 891.45368 180.3
[M+K]+ 912.38302 178.3
[M+H-H2O]+ 856.41712 182.5
[M+HCOO]- 918.41806 178.6
[M+CH3COO]- 932.43371 254.2
[M+Na-2H]- 894.39453 174.0
[M]+ 873.41931 183.8
[M]- 873.42041 183.8
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

No patent data available for this compound.