CID 20640927

325129-69-9

Structural Information

Molecular Formula
C27H36B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(C)C)C=C(C=C4)B5OC(C(O5)(C)C)(C)C
InChI
InChI=1S/C27H36B2O4/c1-23(2)21-15-17(28-30-24(3,4)25(5,6)31-28)11-13-19(21)20-14-12-18(16-22(20)23)29-32-26(7,8)27(9,10)33-29/h11-16H,1-10H3
InChIKey
RVFLMSKITNJVRB-UHFFFAOYSA-N
Compound name
2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

446.27997 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.28725 187.2
[M+Na]+ 469.26919 199.4
[M+NH4]+ 464.31379 201.8
[M+K]+ 485.24313 191.2
[M-H]- 445.27269 197.3
[M+Na-2H]- 467.25464 195.6
[M]+ 446.27942 193.0
[M]- 446.28052 193.0
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