CID 58991171

Schembl18486570

Structural Information

Molecular Formula

C₁₈H₁₅O₂P

SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC(=C3O)O

InChI

InChI=1S/C18H15O2P/c19-16-12-7-13-17(18(16)20)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,19-20H

InChIKey

DMLVAHRVDMKGJN-UHFFFAOYSA-N

Compound name

3-diphenylphosphanylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 294.08096 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.088236	169.8
[M+Na]+	317.070178	175.7
[M-H]-	293.073684	175.6
[M+NH4]+	312.114783	183.5
[M+K]+	333.044118	170.2
[M+H-H2O]+	277.078220	159.1
[M+HCOO]-	339.079161	195.3
[M+CH3COO]-	353.094811	199.3
[M+Na-2H]-	315.055626	170.0
[M]+	294.08041142	167.6
[M]-	294.08150858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe