CID 18674600

226070-05-9

Structural Information

Molecular Formula
C25H33Br
SMILES
CCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCC
InChI
InChI=1S/C25H33Br/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25/h9-10,13-16,19H,3-8,11-12,17-18H2,1-2H3
InChIKey
NNYSRQDAPSNOKV-UHFFFAOYSA-N
Compound name
2-bromo-9,9-dihexylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

412.17657 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18385 204.2
[M+Na]+ 435.16579 214.0
[M-H]- 411.16929 210.9
[M+NH4]+ 430.21039 224.8
[M+K]+ 451.13973 199.2
[M+H-H2O]+ 395.17383 203.1
[M+HCOO]- 457.17477 221.2
[M+CH3COO]- 471.19042 224.4
[M+Na-2H]- 433.15124 206.1
[M]+ 412.17602 227.2
[M]- 412.17712 227.2
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