CID 3661211

2,7-dibromo-9,9-didecylfluorene

Structural Information

Molecular Formula
C33H48Br2
SMILES
CCCCCCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCCCCCC
InChI
InChI=1S/C33H48Br2/c1-3-5-7-9-11-13-15-17-23-33(24-18-16-14-12-10-8-6-4-2)31-25-27(34)19-21-29(31)30-22-20-28(35)26-32(30)33/h19-22,25-26H,3-18,23-24H2,1-2H3
InChIKey
RLYANTSRYXOALQ-UHFFFAOYSA-N
Compound name
2,7-dibromo-9,9-didecylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

602.2123 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.21958 234.1
[M+Na]+ 625.20152 240.4
[M-H]- 601.20502 239.6
[M+NH4]+ 620.24612 248.3
[M+K]+ 641.17546 221.6
[M+H-H2O]+ 585.20956 240.0
[M+HCOO]- 647.21050 243.9
[M+CH3COO]- 661.22615 252.2
[M+Na-2H]- 623.18697 231.4
[M]+ 602.21175 273.3
[M]- 602.21285 273.3
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