CID 4283240

258865-48-4

Structural Information

Molecular Formula
C29H44B2O4
SMILES
B(C1=CC2=C(C=C1)C3=C(C2(CCCCCCCC)CCCCCCCC)C=C(C=C3)B(O)O)(O)O
InChI
InChI=1S/C29H44B2O4/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30(32)33)15-17-25(27)26-18-16-24(31(34)35)22-28(26)29/h15-18,21-22,32-35H,3-14,19-20H2,1-2H3
InChIKey
HURJMQMZDPOUOU-UHFFFAOYSA-N
Compound name
(7-borono-9,9-dioctylfluoren-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

237
Patents

478.34256 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.34984 225.3
[M+Na]+ 501.33178 227.4
[M-H]- 477.33528 223.3
[M+NH4]+ 496.37638 236.4
[M+K]+ 517.30572 220.0
[M+H-H2O]+ 461.33982 218.5
[M+HCOO]- 523.34076 235.1
[M+CH3COO]- 537.35641 234.8
[M+Na-2H]- 499.31723 220.4
[M]+ 478.34201 229.8
[M]- 478.34311 229.8
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