CID 91678

Firemaster 695

Structural Information

Molecular Formula
C14H4Br10O2
SMILES
C(COC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C14H4Br10O2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2
InChIKey
JJEPQBZQAGCZTH-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenoxy)ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

414
Patents

993.2045 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 994.21178 169.8
[M+Na]+ 1016.1937 169.8
[M+NH4]+ 1011.2383 169.8
[M+K]+ 1032.1677 169.8
[M-H]- 992.19722 169.8
[M+Na-2H]- 1014.1792 169.8
[M]+ 993.20395 169.8
[M]- 993.20505 169.8
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

patents stripe