161265-03-8 (C39H32OP2)

Structural Information

Molecular Formula

SMILES

CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C

InChI

InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3

InChIKey

CXNIUSPIQKWYAI-UHFFFAOYSA-N

Compound name

(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane

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]+	579.200076	252.6
[M+Na]+	601.182018	254.1
[M-H]-	577.185524	264.3
[M+NH4]+	596.226623	255.8
[M+K]+	617.155958	247.5
[M+H-H2O]+	561.190060	230.7
[M+HCOO]-	623.191001	273.4
[M+CH3COO]-	637.206651	255.7
[M+Na-2H]-	599.167466	243.5
[M]+	578.19225142	247.5
[M]-	578.19334858	247.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.200076

252.6

[M+Na]+

601.182018

254.1

[M-H]-

577.185524

264.3

[M+NH4]+

596.226623

255.8

[M+K]+

617.155958

247.5

[M+H-H2O]+

561.190060

230.7

[M+HCOO]-

623.191001

273.4

[M+CH3COO]-

637.206651

255.7

[M+Na-2H]-

599.167466

243.5

[M]+

578.19225142

247.5

[M]-

578.19334858

247.5

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

161265-03-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe