CID 21107294

Benzyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C13H13O4P
SMILES
C1=CC=C(C=C1)COP(=O)(O)OC2=CC=CC=C2
InChI
InChI=1S/C13H13O4P/c14-18(15,17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,14,15)
InChIKey
RPSJWBTXLLVXLK-UHFFFAOYSA-N
Compound name
benzyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

264.05515 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06243 158.9
[M+Na]+ 287.04437 165.1
[M-H]- 263.04787 162.8
[M+NH4]+ 282.08897 174.5
[M+K]+ 303.01831 162.6
[M+H-H2O]+ 247.05241 149.2
[M+HCOO]- 309.05335 186.4
[M+CH3COO]- 323.06900 191.2
[M+Na-2H]- 285.02982 163.7
[M]+ 264.05460 161.2
[M]- 264.05570 161.2
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