CID 16218202

Di-tert-butyl[5-(di-tert-butylphosphanyl)-9,9-dimethyl-9h-xanthen-4-yl]phosphane

Structural Information

Molecular Formula
C31H48OP2
SMILES
CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C)C
InChI
InChI=1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3
InChIKey
ZEIZANJFJXHMNS-UHFFFAOYSA-N
Compound name
ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

461
Patents

498.31805 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.32533 240.2
[M+Na]+ 521.30727 243.9
[M-H]- 497.31077 242.6
[M+NH4]+ 516.35187 251.9
[M+K]+ 537.28121 242.0
[M+H-H2O]+ 481.31531 229.1
[M+HCOO]- 543.31625 255.7
[M+CH3COO]- 557.33190 253.0
[M+Na-2H]- 519.29272 237.1
[M]+ 498.31750 245.4
[M]- 498.31860 245.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe