CID 189376

116163-96-3

Structural Information

Molecular Formula
C31H34O4P2
SMILES
COC1=CC=CC=C1P(CCCP(C2=CC=CC=C2OC)C3=CC=CC=C3OC)C4=CC=CC=C4OC
InChI
InChI=1S/C31H34O4P2/c1-32-24-14-5-9-18-28(24)36(29-19-10-6-15-25(29)33-2)22-13-23-37(30-20-11-7-16-26(30)34-3)31-21-12-8-17-27(31)35-4/h5-12,14-21H,13,22-23H2,1-4H3
InChIKey
SXXPTCXIFIOPQF-UHFFFAOYSA-N
Compound name
3-bis(2-methoxyphenyl)phosphanylpropyl-bis(2-methoxyphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1481
Patents

532.19324 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.20052 234.2
[M+Na]+ 555.18246 249.3
[M+NH4]+ 550.22706 240.5
[M+K]+ 571.15640 239.4
[M-H]- 531.18596 242.4
[M+Na-2H]- 553.16791 244.0
[M]+ 532.19269 238.8
[M]- 532.19379 238.8
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