CID 82609

10411-85-5

Structural Information

Molecular Formula

C₈H₅Cl₃O₂

SMILES

COC1=C(C=CC(=C1C(=O)Cl)Cl)Cl

InChI

InChI=1S/C8H5Cl3O2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3

InChIKey

LLUYGIUJQSTELT-UHFFFAOYSA-N

Compound name

3,6-dichloro-2-methoxybenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 237.93552 Da
Monoisotopic Mass: 3.2
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]+	238.94280	142.1
[M+Na]+	260.92474	157.4
[M+NH4]+	255.96934	151.0
[M+K]+	276.89868	149.9
[M-H]-	236.92824	143.7
[M+Na-2H]-	258.91019	149.0
[M]+	237.93497	145.7
[M]-	237.93607	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe