CID 69283

Tri-m-cresol phosphite

Structural Information

Molecular Formula
C21H21O6P
SMILES
C1=CC(=CC(=C1)O)COP(OCC2=CC(=CC=C2)O)OCC3=CC(=CC=C3)O
InChI
InChI=1S/C21H21O6P/c22-19-7-1-4-16(10-19)13-25-28(26-14-17-5-2-8-20(23)11-17)27-15-18-6-3-9-21(24)12-18/h1-12,22-24H,13-15H2
InChIKey
BZOQMVCFICSPPT-UHFFFAOYSA-N
Compound name
tris[(3-hydroxyphenyl)methyl] phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

400.10757 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11485 194.3
[M+Na]+ 423.09679 198.1
[M-H]- 399.10029 198.4
[M+NH4]+ 418.14139 202.5
[M+K]+ 439.07073 194.6
[M+H-H2O]+ 383.10483 182.0
[M+HCOO]- 445.10577 217.7
[M+CH3COO]- 459.12142 215.7
[M+Na-2H]- 421.08224 192.3
[M]+ 400.10702 197.0
[M]- 400.10812 197.0
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