CID 5215321

2,7-dibromo-9,9-di-n-octylfluorene

Structural Information

Molecular Formula
C29H40Br2
SMILES
CCCCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCCCC
InChI
InChI=1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3
InChIKey
CYKLQIOPIMZZBZ-UHFFFAOYSA-N
Compound name
2,7-dibromo-9,9-dioctylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2712
Patents

546.14966 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.15694 218.2
[M+Na]+ 569.13888 226.1
[M-H]- 545.14238 224.6
[M+NH4]+ 564.18348 234.4
[M+K]+ 585.11282 208.0
[M+H-H2O]+ 529.14692 224.9
[M+HCOO]- 591.14786 229.3
[M+CH3COO]- 605.16351 243.6
[M+Na-2H]- 567.12433 217.6
[M]+ 546.14911 256.7
[M]- 546.15021 256.7
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