CID 42920718

2-chloro-n-[2-(propan-2-yl)phenyl]propanamide

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

CC(C)C1=CC=CC=C1NC(=O)C(C)Cl

InChI

InChI=1S/C12H16ClNO/c1-8(2)10-6-4-5-7-11(10)14-12(15)9(3)13/h4-9H,1-3H3,(H,14,15)

InChIKey

HXYOWXKMMPIHRX-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-propan-2-ylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.09204 Da
Monoisotopic Mass: 2.7
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]+	226.099316	150.5
[M+Na]+	248.081258	157.1
[M-H]-	224.084764	154.0
[M+NH4]+	243.125863	169.4
[M+K]+	264.055198	153.7
[M+H-H2O]+	208.089300	145.4
[M+HCOO]-	270.090241	168.1
[M+CH3COO]-	284.105891	193.2
[M+Na-2H]-	246.066706	152.5
[M]+	225.09149142	152.0
[M]-	225.09258858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe