CID 12174285

371193-08-7

Structural Information

Molecular Formula
C25H35BO2
SMILES
B(C1=CC2=C(C=C1)C3=CC=CC=C3C2(CCCCCC)CCCCCC)(O)O
InChI
InChI=1S/C25H35BO2/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(27)28)19-24(22)25/h9-10,13-16,19,27-28H,3-8,11-12,17-18H2,1-2H3
InChIKey
WWASBXIXSWJVJW-UHFFFAOYSA-N
Compound name
(9,9-dihexylfluoren-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

378.273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28028 198.2
[M+Na]+ 401.26222 209.5
[M+NH4]+ 396.30682 207.4
[M+K]+ 417.23616 199.9
[M-H]- 377.26572 200.3
[M+Na-2H]- 399.24767 201.9
[M]+ 378.27245 200.6
[M]- 378.27355 200.6
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