CID 10985889

84852-53-9

Structural Information

Molecular Formula
C14H4Br10
SMILES
C(CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2
InChIKey
BZQKBFHEWDPQHD-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

168
References

8989
Patents

961.2147 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 962.22198 141.2
[M+Na]+ 984.20392 146.3
[M-H]- 960.20742 143.0
[M+NH4]+ 979.24852 142.9
[M+K]+ 1000.1779 142.4
[M+H-H2O]+ 944.21196 142.9
[M+HCOO]- 1006.2129 142.2
[M+CH3COO]- 1020.2286 254.2
[M+Na-2H]- 982.18937 140.1
[M]+ 961.21415 143.1
[M]- 961.21525 143.1
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