CID 13677

Tetrachloroveratrole

Structural Information

Molecular Formula

C₈H₆Cl₄O₂

SMILES

COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC

InChI

InChI=1S/C8H6Cl4O2/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1-2H3

InChIKey

NCYHCGGUQGDEQW-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrachloro-5,6-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 273.9122 Da
Monoisotopic Mass: 4.7
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]+	274.91948	147.3
[M+Na]+	296.90142	159.6
[M-H]-	272.90492	148.7
[M+NH4]+	291.94602	165.4
[M+K]+	312.87536	154.6
[M+H-H2O]+	256.90946	145.5
[M+HCOO]-	318.91040	151.6
[M+CH3COO]-	332.92605	198.0
[M+Na-2H]-	294.88687	149.0
[M]+	273.91165	153.1
[M]-	273.91275	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe