CID 10966294

66602-64-0

Structural Information

Molecular Formula

C₁₁H₁₃ClFNO

SMILES

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

InChI

InChI=1S/C11H13ClFNO/c1-8(2)14(11(15)7-12)10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3

InChIKey

BKSIERMKNBPHJD-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-fluorophenyl)-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 229.06697 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]+	230.074246	147.7
[M+Na]+	252.056188	155.2
[M-H]-	228.059694	151.3
[M+NH4]+	247.100793	167.1
[M+K]+	268.030128	152.5
[M+H-H2O]+	212.064230	141.4
[M+HCOO]-	274.065171	166.1
[M+CH3COO]-	288.080821	195.5
[M+Na-2H]-	250.041636	150.2
[M]+	229.06642142	149.7
[M]-	229.06751858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe