CID 5165044

185913-98-8

Structural Information

Molecular Formula
C38H30Cl2O2P2
SMILES
COC1=C(C=CC(=C1C2=C(C=CC(=C2OC)Cl)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)Cl
InChI
InChI=1S/C38H30Cl2O2P2/c1-41-37-31(39)23-25-33(43(27-15-7-3-8-16-27)28-17-9-4-10-18-28)35(37)36-34(26-24-32(40)38(36)42-2)44(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-26H,1-2H3
InChIKey
GCBRCSSVOVNEIX-UHFFFAOYSA-N
Compound name
[4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

650.1098 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.11708 262.2
[M+Na]+ 673.09902 283.7
[M+NH4]+ 668.14362 270.7
[M+K]+ 689.07296 268.8
[M-H]- 649.10252 275.9
[M+Na-2H]- 671.08447 276.6
[M]+ 650.10925 270.4
[M]- 650.11035 270.4
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