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

16
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

literature stripe

Patent stripe

patents stripe