CID 23727242

2'-dicyclohexylphosphino-2,4,6-trimethoxybiphenyl

Structural Information

Molecular Formula
C27H37O3P
SMILES
COC1=CC(=C(C(=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)OC
InChI
InChI=1S/C27H37O3P/c1-28-20-18-24(29-2)27(25(19-20)30-3)23-16-10-11-17-26(23)31(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22H,4-9,12-15H2,1-3H3
InChIKey
NTHFAYYJLKWDAE-UHFFFAOYSA-N
Compound name
dicyclohexyl-[2-(2,4,6-trimethoxyphenyl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

440.24805 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.25533 211.7
[M+Na]+ 463.23727 210.9
[M-H]- 439.24077 220.1
[M+NH4]+ 458.28187 219.9
[M+K]+ 479.21121 206.8
[M+H-H2O]+ 423.24531 197.5
[M+HCOO]- 485.24625 229.6
[M+CH3COO]- 499.26190 233.2
[M+Na-2H]- 461.22272 203.0
[M]+ 440.24750 206.7
[M]- 440.24860 206.7
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