CID 87323442

4-acetyl-2-methylbenzoyl chloride

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

CC1=C(C=CC(=C1)C(=O)C)C(=O)Cl

InChI

InChI=1S/C10H9ClO2/c1-6-5-8(7(2)12)3-4-9(6)10(11)13/h3-5H,1-2H3

InChIKey

DWEMIPZCGUHMSX-UHFFFAOYSA-N

Compound name

4-acetyl-2-methylbenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 196.02911 Da
Monoisotopic Mass: 2.5
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]+	197.03639	137.9
[M+Na]+	219.01833	151.8
[M+NH4]+	214.06293	146.4
[M+K]+	234.99227	145.5
[M-H]-	195.02183	139.5
[M+Na-2H]-	217.00378	144.4
[M]+	196.02856	140.6
[M]-	196.02966	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe