CID 156588435

Methanesulfonato[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene](2'-methylamino-1,1'-biphenyl-2-yl)palladium(ii)

Structural Information

Molecular Formula
C39H32O4P2S
SMILES
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=CC(=C51)S(=O)(=O)O)P(C6=CC=CC=C6)C7=CC=CC=C7)C
InChI
InChI=1S/C39H32O4P2S/c1-39(2)32-24-15-25-33(44(28-16-7-3-8-17-28)29-18-9-4-10-19-29)37(32)43-38-34(26-27-35(36(38)39)46(40,41)42)45(30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-27H,1-2H3,(H,40,41,42)
InChIKey
SWWJYOIHMLBLPL-UHFFFAOYSA-N
Compound name
4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.14966 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.15694 252.5
[M+Na]+ 681.13888 254.3
[M-H]- 657.14238 263.6
[M+NH4]+ 676.18348 252.9
[M+K]+ 697.11282 250.7
[M+H-H2O]+ 641.14692 232.6
[M+HCOO]- 703.14786 268.5
[M+CH3COO]- 717.16351 255.3
[M+Na-2H]- 679.12433 247.1
[M]+ 658.14911 250.8
[M]- 658.15021 250.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.