CID 522987

Tris(2,4,6-trimethoxyphenyl)phosphine

Structural Information

Molecular Formula
C27H33O9P
SMILES
COC1=CC(=C(C(=C1)OC)P(C2=C(C=C(C=C2OC)OC)OC)C3=C(C=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C27H33O9P/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9/h10-15H,1-9H3
InChIKey
JQKHNBQZGUKYPX-UHFFFAOYSA-N
Compound name
tris(2,4,6-trimethoxyphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1133
Patents

532.1862 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.19348 225.9
[M+Na]+ 555.17542 232.4
[M-H]- 531.17892 235.1
[M+NH4]+ 550.22002 232.0
[M+K]+ 571.14936 233.9
[M+H-H2O]+ 515.18346 211.6
[M+HCOO]- 577.18440 251.8
[M+CH3COO]- 591.20005 254.0
[M+Na-2H]- 553.16087 219.3
[M]+ 532.18565 242.7
[M]- 532.18675 242.7
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