CID 62899

2,2-dichloro-n-isopropylacetanilide

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO

SMILES

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

InChI

InChI=1S/C11H13Cl2NO/c1-8(2)14(11(15)10(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3

InChIKey

YNQUTIGIFWPXJV-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-phenyl-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 245.03741 Da
Monoisotopic Mass: 2.9
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]+	246.044686	151.0
[M+Na]+	268.026628	157.8
[M-H]-	244.030134	155.2
[M+NH4]+	263.071233	169.9
[M+K]+	284.000568	154.3
[M+H-H2O]+	228.034670	146.5
[M+HCOO]-	290.035611	164.5
[M+CH3COO]-	304.051261	197.1
[M+Na-2H]-	266.012076	153.0
[M]+	245.03686142	154.4
[M]-	245.03795858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe