CID 4962268

79881-25-7

Structural Information

Molecular Formula

C₉H₈Cl₂O₂

SMILES

COC1=C(C=C(C=C1)C(=O)CCl)Cl

InChI

InChI=1S/C9H8Cl2O2/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4H,5H2,1H3

InChIKey

MDRXXAAPROLVKD-UHFFFAOYSA-N

Compound name

2-chloro-1-(3-chloro-4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 217.99013 Da
Monoisotopic Mass: 3.0
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]+	218.99741	139.9
[M+Na]+	240.97935	154.7
[M+NH4]+	236.02395	148.9
[M+K]+	256.95329	147.3
[M-H]-	216.98285	141.8
[M+Na-2H]-	238.96480	147.0
[M]+	217.98958	143.2
[M]-	217.99068	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe