CID 2782896

2-chloro-n-(2,4,5-trifluorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₅ClF₃NO

SMILES

C1=C(C(=CC(=C1F)F)F)NC(=O)CCl

InChI

InChI=1S/C8H5ClF3NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)

InChIKey

PDMSXDUFJXGAAY-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,4,5-trifluorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.00117 Da
Monoisotopic Mass: 2.0
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]+	224.008446	137.7
[M+Na]+	245.990388	148.4
[M-H]-	221.993894	138.1
[M+NH4]+	241.034993	157.1
[M+K]+	261.964328	143.8
[M+H-H2O]+	205.998430	130.5
[M+HCOO]-	267.999371	155.3
[M+CH3COO]-	282.015021	190.0
[M+Na-2H]-	243.975836	141.2
[M]+	223.00062142	136.2
[M]-	223.00171858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.