CID 175685027

3-((hydroxy(methoxy)phosphoryl)oxy)phenyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C13H14O8P2
SMILES
COP(=O)(O)OC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2
InChI
InChI=1S/C13H14O8P2/c1-18-22(14,15)20-12-8-5-9-13(10-12)21-23(16,17)19-11-6-3-2-4-7-11/h2-10H,1H3,(H,14,15)(H,16,17)
InChIKey
GPZQIYKQZPYNOI-UHFFFAOYSA-N
Compound name
[3-[hydroxy(methoxy)phosphoryl]oxyphenyl] phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.0164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.02368 177.0
[M+Na]+ 383.00562 182.3
[M-H]- 359.00912 178.8
[M+NH4]+ 378.05022 188.2
[M+K]+ 398.97956 182.3
[M+H-H2O]+ 343.01366 164.7
[M+HCOO]- 405.01460 207.0
[M+CH3COO]- 419.03025 205.9
[M+Na-2H]- 380.99107 180.5
[M]+ 360.01585 182.9
[M]- 360.01695 182.9
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.