CID 11967214

117964-21-3

Structural Information

Molecular Formula
C12H2Br8O
SMILES
C1=C(C(=C(C(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C12H2Br8O/c13-3-1-5(15)11(9(19)7(3)17)21-12-6(16)2-4(14)8(18)10(12)20/h1-2H
InChIKey
AAFUUKPTSPVXJH-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrabromo-4-(2,3,4,6-tetrabromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

21
Patents

793.3573 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 794.36458 174.4
[M+Na]+ 816.34652 184.7
[M-H]- 792.35002 178.1
[M+NH4]+ 811.39112 178.3
[M+K]+ 832.32046 176.4
[M+H-H2O]+ 776.35456 180.5
[M+HCOO]- 838.35550 176.6
[M+CH3COO]- 852.37115 254.0
[M+Na-2H]- 814.33197 172.2
[M]+ 793.35675 181.8
[M]- 793.35785 181.8
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

No patent data available for this compound.