CID 459174

Tris(3-methoxyphenyl) phosphate

Structural Information

Molecular Formula
C21H21O7P
SMILES
COC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)OC)OC3=CC=CC(=C3)OC
InChI
InChI=1S/C21H21O7P/c1-23-16-7-4-10-19(13-16)26-29(22,27-20-11-5-8-17(14-20)24-2)28-21-12-6-9-18(15-21)25-3/h4-15H,1-3H3
InChIKey
OOTKSFVXAUQULT-UHFFFAOYSA-N
Compound name
tris(3-methoxyphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.10248 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10976 196.0
[M+Na]+ 439.09170 201.9
[M-H]- 415.09520 204.6
[M+NH4]+ 434.13630 205.8
[M+K]+ 455.06564 201.1
[M+H-H2O]+ 399.09974 183.0
[M+HCOO]- 461.10068 223.7
[M+CH3COO]- 475.11633 223.6
[M+Na-2H]- 437.07715 198.0
[M]+ 416.10193 205.0
[M]- 416.10303 205.0
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