CID 12964693

2-bromo-9,9-di-n-octylfluorene

Structural Information

Molecular Formula
C29H41Br
SMILES
CCCCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCCCC
InChI
InChI=1S/C29H41Br/c1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3
InChIKey
ITVGRPGDCPNGHZ-UHFFFAOYSA-N
Compound name
2-bromo-9,9-dioctylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

468.23917 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.24645 222.4
[M+Na]+ 491.22839 230.3
[M-H]- 467.23189 228.2
[M+NH4]+ 486.27299 240.6
[M+K]+ 507.20233 214.7
[M+H-H2O]+ 451.23643 220.4
[M+HCOO]- 513.23737 237.9
[M+CH3COO]- 527.25302 235.2
[M+Na-2H]- 489.21384 222.0
[M]+ 468.23862 246.5
[M]- 468.23972 246.5
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