CID 3473910

Benzyl diphenyl phosphate

Structural Information

Molecular Formula
C19H17O4P
SMILES
C1=CC=C(C=C1)COP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H17O4P/c20-24(22-18-12-6-2-7-13-18,23-19-14-8-3-9-15-19)21-16-17-10-4-1-5-11-17/h1-15H,16H2
InChIKey
JELQNFAUSQUEGV-UHFFFAOYSA-N
Compound name
benzyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

679
Patents

340.08646 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.093736 179.9
[M+Na]+ 363.075678 184.9
[M-H]- 339.079184 187.7
[M+NH4]+ 358.120283 192.3
[M+K]+ 379.049618 181.7
[M+H-H2O]+ 323.083720 167.7
[M+HCOO]- 385.084661 207.9
[M+CH3COO]- 399.100311 207.8
[M+Na-2H]- 361.061126 184.1
[M]+ 340.08591142 182.8
[M]- 340.08700858 182.8
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