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 224.0
[M+Na]+ 491.22839 231.3
[M-H]- 467.23189 229.9
[M+NH4]+ 486.27299 242.1
[M+K]+ 507.20233 216.6
[M+H-H2O]+ 451.23643 222.4
[M+HCOO]- 513.23737 237.5
[M+CH3COO]- 527.25302 236.7
[M+Na-2H]- 489.21384 221.4
[M]+ 468.23862 246.9
[M]- 468.23972 246.9
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