CID 116142

63992-61-0

Structural Information

Molecular Formula

C₇H₆Cl₂O₂

SMILES

CC1=C(C(=CC(=C1Cl)O)O)Cl

InChI

InChI=1S/C7H6Cl2O2/c1-3-6(8)4(10)2-5(11)7(3)9/h2,10-11H,1H3

InChIKey

IVNCPSRGNXBTPP-UHFFFAOYSA-N

Compound name

4,6-dichloro-5-methylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.97449 Da
Monoisotopic Mass: 2.8
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]+	192.98177	131.9
[M+Na]+	214.96371	147.0
[M+NH4]+	210.00831	140.9
[M+K]+	230.93765	140.4
[M-H]-	190.96721	133.4
[M+Na-2H]-	212.94916	138.4
[M]+	191.97394	135.1
[M]-	191.97504	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe