CID 22564369

9,9'-spirobi[9h-fluorene]-2-boronic acid

Structural Information

Molecular Formula
C25H17BO2
SMILES
B(C1=CC2=C(C=C1)C3=CC=CC=C3C24C5=CC=CC=C5C6=CC=CC=C46)(O)O
InChI
InChI=1S/C25H17BO2/c27-26(28)16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15,27-28H
InChIKey
WDDLHUWVLROJLA-UHFFFAOYSA-N
Compound name
9,9'-spirobi[fluorene]-2-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

360.13217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13945 185.9
[M+Na]+ 383.12139 196.1
[M-H]- 359.12489 194.0
[M+NH4]+ 378.16599 206.8
[M+K]+ 399.09533 187.3
[M+H-H2O]+ 343.12943 178.5
[M+HCOO]- 405.13037 202.6
[M+CH3COO]- 419.14602 196.7
[M+Na-2H]- 381.10684 189.3
[M]+ 360.13162 186.6
[M]- 360.13272 186.6
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