CID 98540

36871-68-8

Structural Information

Molecular Formula
C21H21O3P
SMILES
C1=CC=C(C=C1)CP(=O)(C(C2=CC=CC=C2)O)C(C3=CC=CC=C3)O
InChI
InChI=1S/C21H21O3P/c22-20(18-12-6-2-7-13-18)25(24,16-17-10-4-1-5-11-17)21(23)19-14-8-3-9-15-19/h1-15,20-23H,16H2
InChIKey
SKKGKCMFZMIDNS-UHFFFAOYSA-N
Compound name
[benzyl-[hydroxy(phenyl)methyl]phosphoryl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.12283 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13011 186.1
[M+Na]+ 375.11205 188.8
[M-H]- 351.11555 190.9
[M+NH4]+ 370.15665 196.6
[M+K]+ 391.08599 184.0
[M+H-H2O]+ 335.12009 174.9
[M+HCOO]- 397.12103 208.2
[M+CH3COO]- 411.13668 208.4
[M+Na-2H]- 373.09750 186.0
[M]+ 352.12228 183.6
[M]- 352.12338 183.6
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

No patent data available for this compound.