CID 88736

[1,1'-biphenyl]-3,3',5-triol

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1=CC(=CC(=C1)O)C2=CC(=CC(=C2)O)O

InChI

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

InChIKey

ZWJMMZAKZQPIHD-UHFFFAOYSA-N

Compound name

5-(3-hydroxyphenyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 202.06299 Da
Monoisotopic Mass: 2.5
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	141.0
[M+Na]+	225.05221	149.9
[M-H]-	201.05571	144.7
[M+NH4]+	220.09681	158.4
[M+K]+	241.02615	145.6
[M+H-H2O]+	185.06025	135.1
[M+HCOO]-	247.06119	162.2
[M+CH3COO]-	261.07684	178.1
[M+Na-2H]-	223.03766	146.6
[M]+	202.06244	139.3
[M]-	202.06354	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe