CID 446948

2',6'-dichloro-biphenyl-2,6-diol

Structural Information

Molecular Formula

C₁₂H₈Cl₂O₂

SMILES

C1=CC(=C(C(=C1)O)O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H

InChIKey

MCZUCSAAGDCHHN-UHFFFAOYSA-N

Compound name

3-(2,6-dichlorophenyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 253.99013 Da
Monoisotopic Mass: 4.1
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]+	254.997406	148.2
[M+Na]+	276.979348	159.7
[M-H]-	252.982854	152.7
[M+NH4]+	272.023953	165.9
[M+K]+	292.953288	152.7
[M+H-H2O]+	236.987390	144.0
[M+HCOO]-	298.988331	161.1
[M+CH3COO]-	313.003981	188.1
[M+Na-2H]-	274.964796	152.5
[M]+	253.98958142	150.8
[M]-	253.99067858	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe