CID 11248391

2-bromo-9,9-bis(2-ethylhexyl)fluorene

Structural Information

Molecular Formula
C29H41Br
SMILES
CCCCC(CC)CC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CC(CC)CCCC
InChI
InChI=1S/C29H41Br/c1-5-9-13-22(7-3)20-29(21-23(8-4)14-10-6-2)27-16-12-11-15-25(27)26-18-17-24(30)19-28(26)29/h11-12,15-19,22-23H,5-10,13-14,20-21H2,1-4H3
InChIKey
JAWAIXIROBPNSH-UHFFFAOYSA-N
Compound name
2-bromo-9,9-bis(2-ethylhexyl)fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

468.23917 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.24645 216.9
[M+Na]+ 491.22839 219.2
[M+NH4]+ 486.27299 222.9
[M+K]+ 507.20233 214.4
[M-H]- 467.23189 218.7
[M+Na-2H]- 489.21384 217.3
[M]+ 468.23862 216.9
[M]- 468.23972 216.9
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