CID 82600

4,4'-dibromooctafluorobiphenyl

Structural Information

Molecular Formula
C12Br2F8
SMILES
C1(=C(C(=C(C(=C1F)F)Br)F)F)C2=C(C(=C(C(=C2F)F)Br)F)F
InChI
InChI=1S/C12Br2F8/c13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18
InChIKey
YXLMNFVUNLCJJY-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

206
Patents

453.8239 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.83118 179.5
[M+Na]+ 476.81312 195.2
[M-H]- 452.81662 182.1
[M+NH4]+ 471.85772 194.3
[M+K]+ 492.78706 177.0
[M+H-H2O]+ 436.82116 181.3
[M+HCOO]- 498.82210 188.9
[M+CH3COO]- 512.83775 229.1
[M+Na-2H]- 474.79857 177.0
[M]+ 453.82335 206.0
[M]- 453.82445 206.0
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