PubChemLite - Bromotriphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)phosphorane (C31H33BBrO2P)

Structural Information

Molecular Formula

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CP(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)Br

InChI

InChI=1S/C31H33BBrO2P/c1-30(2)31(3,4)35-32(34-30)26-22-20-25(21-23-26)24-36(33,27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-23H,24H2,1-4H3

InChIKey

QFKBJKZUBNWCIZ-UHFFFAOYSA-N

Compound name

bromo-triphenyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-lambda5-phosphane

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]+	559.15678	239.4
[M+Na]+	581.13872	247.1
[M-H]-	557.14222	256.0
[M+NH4]+	576.18332	250.4
[M+K]+	597.11266	237.7
[M+H-H2O]+	541.14676	234.0
[M+HCOO]-	603.14770	258.8
[M+CH3COO]-	617.16335	248.5
[M+Na-2H]-	579.12417	235.1
[M]+	558.14895	258.0
[M]-	558.15005	258.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.15678

239.4

[M+Na]+

581.13872

247.1

[M-H]-

557.14222

256.0

[M+NH4]+

576.18332

250.4

[M+K]+

597.11266

237.7

[M+H-H2O]+

541.14676

234.0

[M+HCOO]-

603.14770

258.8

[M+CH3COO]-

617.16335

248.5

[M+Na-2H]-

579.12417

235.1

[M]+

558.14895

258.0

[M]-

558.15005

258.0

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

Bromotriphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)phosphorane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe