PubChemLite - 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]+	579.20008	252.6
[M+Na]+	601.18202	254.1
[M-H]-	577.18552	264.3
[M+NH4]+	596.22662	255.8
[M+K]+	617.15596	247.5
[M+H-H2O]+	561.19006	230.7
[M+HCOO]-	623.19100	273.4
[M+CH3COO]-	637.20665	255.7
[M+Na-2H]-	599.16747	243.5
[M]+	578.19225	247.5
[M]-	578.19335	247.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.20008

252.6

[M+Na]+

601.18202

254.1

[M-H]-

577.18552

264.3

[M+NH4]+

596.22662

255.8

[M+K]+

617.15596

247.5

[M+H-H2O]+

561.19006

230.7

[M+HCOO]-

623.19100

273.4

[M+CH3COO]-

637.20665

255.7

[M+Na-2H]-

599.16747

243.5

[M]+

578.19225

247.5

[M]-

578.19335

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

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