PubChemLite - 2621932-37-2 (C29H42BFO4Si)

Structural Information

Molecular Formula

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=C2C(=C(C=C3)F)C#C[Si](C(C)C)(C(C)C)C(C)C)OCOC

InChI

InChI=1S/C29H42BFO4Si/c1-19(2)36(20(3)4,21(5)6)15-14-24-26(31)13-12-22-16-23(33-18-32-11)17-25(27(22)24)30-34-28(7,8)29(9,10)35-30/h12-13,16-17,19-21H,18H2,1-11H3

InChIKey

BJAHHTUQMZCNPO-UHFFFAOYSA-N

Compound name

2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane

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]+	513.30025	219.7
[M+Na]+	535.28219	229.2
[M-H]-	511.28569	224.2
[M+NH4]+	530.32679	230.4
[M+K]+	551.25613	223.6
[M+H-H2O]+	495.29023	207.5
[M+HCOO]-	557.29117	225.1
[M+CH3COO]-	571.30682	248.5
[M+Na-2H]-	533.26764	215.2
[M]+	512.29242	220.9
[M]-	512.29352	220.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.30025

219.7

[M+Na]+

535.28219

229.2

[M-H]-

511.28569

224.2

[M+NH4]+

530.32679

230.4

[M+K]+

551.25613

223.6

[M+H-H2O]+

495.29023

207.5

[M+HCOO]-

557.29117

225.1

[M+CH3COO]-

571.30682

248.5

[M+Na-2H]-

533.26764

215.2

[M]+

512.29242

220.9

[M]-

512.29352

220.9

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

2621932-37-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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