PubChemLite - 9,9-dimethylfluorene-2,7-diboronic acid bis(pinacol) ester (C27H36B2O4)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	447.28725	190.0
[M+Na]+	469.26919	203.1
[M-H]-	445.27269	205.5
[M+NH4]+	464.31379	212.2
[M+K]+	485.24313	202.3
[M+H-H2O]+	429.27723	188.3
[M+HCOO]-	491.27817	203.8
[M+CH3COO]-	505.29382	203.2
[M+Na-2H]-	467.25464	191.4
[M]+	446.27942	199.7
[M]-	446.28052	199.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.28725

190.0

[M+Na]+

469.26919

203.1

[M-H]-

445.27269

205.5

[M+NH4]+

464.31379

212.2

[M+K]+

485.24313

202.3

[M+H-H2O]+

429.27723

188.3

[M+HCOO]-

491.27817

203.8

[M+CH3COO]-

505.29382

203.2

[M+Na-2H]-

467.25464

191.4

[M]+

446.27942

199.7

[M]-

446.28052

199.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

9,9-dimethylfluorene-2,7-diboronic acid bis(pinacol) ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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