CID 68420

Guaiacol phosphate

Structural Information

Molecular Formula
C21H21O7P
SMILES
COC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2OC)OC3=CC=CC=C3OC
InChI
InChI=1S/C21H21O7P/c1-23-16-10-4-7-13-19(16)26-29(22,27-20-14-8-5-11-17(20)24-2)28-21-15-9-6-12-18(21)25-3/h4-15H,1-3H3
InChIKey
ADBFDJQRBQZXAB-UHFFFAOYSA-N
Compound name
tris(2-methoxyphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

416.10248 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10976 195.5
[M+Na]+ 439.09170 209.4
[M+NH4]+ 434.13630 201.0
[M+K]+ 455.06564 203.2
[M-H]- 415.09520 199.7
[M+Na-2H]- 437.07715 204.7
[M]+ 416.10193 198.7
[M]- 416.10303 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe