CID 3597908

4'-chloro-2,2,2'-trimethylpropionanilide

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

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

InChI

InChI=1S/C12H16ClNO/c1-8-7-9(13)5-6-10(8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)

InChIKey

ZNOIVABHKZATSH-UHFFFAOYSA-N

Compound name

N-(4-chloro-2-methylphenyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.09204 Da
Monoisotopic Mass: 3.4
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]+	226.09932	150.9
[M+Na]+	248.08126	163.5
[M+NH4]+	243.12586	159.2
[M+K]+	264.05520	157.0
[M-H]-	224.08476	153.0
[M+Na-2H]-	246.06671	157.1
[M]+	225.09149	153.6
[M]-	225.09259	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe