CID 141534

Tris(3-methoxyphenyl)phosphine

Structural Information

Molecular Formula
C21H21O3P
SMILES
COC1=CC(=CC=C1)P(C2=CC=CC(=C2)OC)C3=CC=CC(=C3)OC
InChI
InChI=1S/C21H21O3P/c1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3/h4-15H,1-3H3
InChIKey
CCXTYQMZVYIQRP-UHFFFAOYSA-N
Compound name
tris(3-methoxyphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

818
Patents

352.12283 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13011 186.1
[M+Na]+ 375.11205 192.1
[M-H]- 351.11555 194.4
[M+NH4]+ 370.15665 198.9
[M+K]+ 391.08599 188.6
[M+H-H2O]+ 335.12009 173.8
[M+HCOO]- 397.12103 213.6
[M+CH3COO]- 411.13668 216.2
[M+Na-2H]- 373.09750 184.8
[M]+ 352.12228 190.2
[M]- 352.12338 190.2
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