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
2
Annotation Hits

0
References

231
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 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

No literature data available for this compound.

Patent stripe

patents stripe