CID 3463751

[9,9-bis(2-ethylhexyl)-9h-fluorene-2,7-diyl]bisboronic acid

Structural Information

Molecular Formula
C29H44B2O4
SMILES
B(C1=CC2=C(C=C1)C3=C(C2(CC(CC)CCCC)CC(CC)CCCC)C=C(C=C3)B(O)O)(O)O
InChI
InChI=1S/C29H44B2O4/c1-5-9-11-21(7-3)19-29(20-22(8-4)12-10-6-2)27-17-23(30(32)33)13-15-25(27)26-16-14-24(31(34)35)18-28(26)29/h13-18,21-22,32-35H,5-12,19-20H2,1-4H3
InChIKey
RBFWXVHGJQDSGG-UHFFFAOYSA-N
Compound name
[7-borono-9,9-bis(2-ethylhexyl)fluoren-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

478.34256 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.34984 225.8
[M+Na]+ 501.33178 227.2
[M-H]- 477.33528 223.9
[M+NH4]+ 496.37638 236.8
[M+K]+ 517.30572 221.3
[M+H-H2O]+ 461.33982 219.6
[M+HCOO]- 523.34076 233.5
[M+CH3COO]- 537.35641 236.7
[M+Na-2H]- 499.31723 218.6
[M]+ 478.34201 229.1
[M]- 478.34311 229.1
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