CID 19578778

Schembl18486677

Structural Information

Molecular Formula
C18H15O3P
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC(=C3O)O
InChI
InChI=1S/C18H15O3P/c19-16-12-7-13-17(18(16)20)22(21,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,19-20H
InChIKey
ORSCZGQHXXZNQZ-UHFFFAOYSA-N
Compound name
3-diphenylphosphorylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

310.07587 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.083146 172.8
[M+Na]+ 333.065088 179.5
[M-H]- 309.068594 178.9
[M+NH4]+ 328.109693 185.9
[M+K]+ 349.039028 174.2
[M+H-H2O]+ 293.073130 162.2
[M+HCOO]- 355.074071 198.0
[M+CH3COO]- 369.089721 200.2
[M+Na-2H]- 331.050536 175.2
[M]+ 310.07532142 171.4
[M]- 310.07641858 171.4
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