CID 11252402

41068-36-4

Structural Information

Molecular Formula

SMILES

CC(=O)C1=C(C=C(C=C1)OC)Cl

InChI

InChI=1S/C9H9ClO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3

InChIKey

CPHAKIQSOMATHD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 184.02911 Da
Monoisotopic Mass: 2.4
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]+	185.03639	133.1
[M+Na]+	207.01833	143.3
[M-H]-	183.02183	137.5
[M+NH4]+	202.06293	154.4
[M+K]+	222.99227	140.4
[M+H-H2O]+	167.02637	128.9
[M+HCOO]-	229.02731	152.9
[M+CH3COO]-	243.04296	181.4
[M+Na-2H]-	205.00378	138.5
[M]+	184.02856	137.5
[M]-	184.02966	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe