CID 69359914

3-ho-tphp

Structural Information

Molecular Formula

C₁₂H₁₁O₅P

SMILES

C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC(=C2)O

InChI

InChI=1S/C12H11O5P/c13-10-5-4-8-12(9-10)17-18(14,15)16-11-6-2-1-3-7-11/h1-9,13H,(H,14,15)

InChIKey

JABIRUGAQKUZKJ-UHFFFAOYSA-N

Compound name

(3-hydroxyphenyl) phenyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 266.03442 Da
Monoisotopic Mass: 2.3
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]+	267.041696	156.9
[M+Na]+	289.023638	163.8
[M-H]-	265.027144	160.1
[M+NH4]+	284.068243	172.0
[M+K]+	304.997578	161.5
[M+H-H2O]+	249.031680	147.6
[M+HCOO]-	311.032621	183.5
[M+CH3COO]-	325.048271	189.1
[M+Na-2H]-	287.009086	161.4
[M]+	266.03387142	158.8
[M]-	266.03496858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe