CID 22345068

97416-84-7

Structural Information

Molecular Formula
C23H24Br8O2
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)OCC(C)(CBr)Br)Br)C2=CC(=C(C(=C2)Br)OCC(C)(CBr)Br)Br
InChI
InChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3
InChIKey
IYOVSGHZOIZSDC-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

244
Patents

963.52435 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 964.53163 169.8
[M+Na]+ 986.51357 169.8
[M+NH4]+ 981.55817 169.8
[M+K]+ 1002.4875 169.8
[M-H]- 962.51707 169.9
[M+Na-2H]- 984.49902 169.8
[M]+ 963.52380 169.8
[M]- 963.52490 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