CID 20319365

30264-75-6

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

CC1=CC(=CC=C1)N(C)C(=O)CCl

InChI

InChI=1S/C10H12ClNO/c1-8-4-3-5-9(6-8)12(2)10(13)7-11/h3-6H,7H2,1-2H3

InChIKey

TULDOFRVCWOVGT-UHFFFAOYSA-N

Compound name

2-chloro-N-methyl-N-(3-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.06075 Da
Monoisotopic Mass: 2.3
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]+	198.06803	140.8
[M+Na]+	220.04997	148.9
[M-H]-	196.05347	145.9
[M+NH4]+	215.09457	161.6
[M+K]+	236.02391	146.4
[M+H-H2O]+	180.05801	135.6
[M+HCOO]-	242.05895	161.5
[M+CH3COO]-	256.07460	188.9
[M+Na-2H]-	218.03542	145.6
[M]+	197.06020	144.1
[M]-	197.06130	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe