CID 175684888

3-((diphenoxyphosphoryl)oxy)phenyl methyl hydrogen phosphate

Structural Information

Molecular Formula
C19H18O8P2
SMILES
COP(=O)(O)OC1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H18O8P2/c1-23-28(20,21)24-18-13-8-14-19(15-18)27-29(22,25-16-9-4-2-5-10-16)26-17-11-6-3-7-12-17/h2-15H,1H3,(H,20,21)
InChIKey
DRDALYVCXFDHIH-UHFFFAOYSA-N
Compound name
[3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.0477 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.05498 197.0
[M+Na]+ 459.03692 200.8
[M-H]- 435.04042 202.6
[M+NH4]+ 454.08152 204.9
[M+K]+ 475.01086 200.5
[M+H-H2O]+ 419.04496 182.1
[M+HCOO]- 481.04590 227.2
[M+CH3COO]- 495.06155 222.1
[M+Na-2H]- 457.02237 199.8
[M]+ 436.04715 203.1
[M]- 436.04825 203.1
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

No patent data available for this compound.