CID 119101

3-htcbp

Structural Information

Molecular Formula

C₁₂H₆Cl₄O

SMILES

C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2)Cl)O)Cl)Cl

InChI

InChI=1S/C12H6Cl4O/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-11(17)12(9)16/h1-5,17H

InChIKey

SPZLUXZFGWFMRN-UHFFFAOYSA-N

Compound name

2,5-dichloro-3-(2,5-dichlorophenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 305.91727 Da
Monoisotopic Mass: 6.0
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]+	306.92455	163.1
[M+Na]+	328.90649	180.8
[M+NH4]+	323.95109	172.5
[M+K]+	344.88043	170.9
[M-H]-	304.90999	167.0
[M+Na-2H]-	326.89194	171.7
[M]+	305.91672	168.2
[M]-	305.91782	168.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.