CID 179618

1,2-benzenediol, 3-phenoxy-

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2O)O

InChI

InChI=1S/C12H10O3/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8,13-14H

InChIKey

HLRZKIOOLGZAFC-UHFFFAOYSA-N

Compound name

3-phenoxybenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3037
Patents: 202.06299 Da
Monoisotopic Mass: 2.7
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]+	203.07027	140.7
[M+Na]+	225.05221	149.0
[M-H]-	201.05571	145.4
[M+NH4]+	220.09681	158.4
[M+K]+	241.02615	145.6
[M+H-H2O]+	185.06025	134.2
[M+HCOO]-	247.06119	163.4
[M+CH3COO]-	261.07684	179.3
[M+Na-2H]-	223.03766	147.5
[M]+	202.06244	140.4
[M]-	202.06354	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe