CID 12174285

9,9-dihexylfluorene-2-boronic acid (contains varying amounts of anhydride)

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

33
Patents

378.273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28028 199.5
[M+Na]+ 401.26222 204.6
[M-H]- 377.26572 201.0
[M+NH4]+ 396.30682 216.3
[M+K]+ 417.23616 197.4
[M+H-H2O]+ 361.27026 192.6
[M+HCOO]- 423.27120 214.9
[M+CH3COO]- 437.28685 219.2
[M+Na-2H]- 399.24767 199.0
[M]+ 378.27245 203.3
[M]- 378.27355 203.3
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