CID 5140914

2,7-dibromo-9,9-didodecylfluorene

Structural Information

Molecular Formula
C37H56Br2
SMILES
CCCCCCCCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCCCCCCCC
InChI
InChI=1S/C37H56Br2/c1-3-5-7-9-11-13-15-17-19-21-27-37(28-22-20-18-16-14-12-10-8-6-4-2)35-29-31(38)23-25-33(35)34-26-24-32(39)30-36(34)37/h23-26,29-30H,3-22,27-28H2,1-2H3
InChIKey
KFOUJVGPGBSIFB-UHFFFAOYSA-N
Compound name
2,7-dibromo-9,9-didodecylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

194
Patents

658.2749 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.28218 249.6
[M+Na]+ 681.26412 254.4
[M-H]- 657.26762 254.3
[M+NH4]+ 676.30872 261.8
[M+K]+ 697.23806 234.8
[M+H-H2O]+ 641.27216 254.7
[M+HCOO]- 703.27310 258.1
[M+CH3COO]- 717.28875 260.6
[M+Na-2H]- 679.24957 245.0
[M]+ 658.27435 289.6
[M]- 658.27545 289.6
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