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: 44
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]+	267.04170	156.9
[M+Na]+	289.02364	163.8
[M-H]-	265.02714	160.1
[M+NH4]+	284.06824	172.0
[M+K]+	304.99758	161.5
[M+H-H2O]+	249.03168	147.6
[M+HCOO]-	311.03262	183.5
[M+CH3COO]-	325.04827	189.1
[M+Na-2H]-	287.00909	161.4
[M]+	266.03387	158.8
[M]-	266.03497	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe