CID 15509899

2,2',3,4,4',5',6-heptabromodiphenyl ether

Structural Information

Molecular Formula
C12H3Br7O
SMILES
C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br
InChI
InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H
InChIKey
ILPSCQCLBHQUEM-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

41
Patents

715.4468 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 716.45408 169.5
[M+Na]+ 738.43602 169.4
[M+NH4]+ 733.48062 169.6
[M+K]+ 754.40996 169.6
[M-H]- 714.43952 169.7
[M+Na-2H]- 736.42147 169.6
[M]+ 715.44625 169.6
[M]- 715.44735 169.6
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