CID 54592477

2-chloro-n-{1-[4-(trifluoromethoxy)phenyl]ethyl}acetamide

Structural Information

Molecular Formula

C₁₁H₁₁ClF₃NO₂

SMILES

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

InChI

InChI=1S/C11H11ClF3NO2/c1-7(16-10(17)6-12)8-2-4-9(5-3-8)18-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)

InChIKey

QLZKQLKMOXKABO-UHFFFAOYSA-N

Compound name

2-chloro-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.04303 Da
Monoisotopic Mass: 3.2
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]+	282.050306	155.4
[M+Na]+	304.032248	163.3
[M-H]-	280.035754	155.1
[M+NH4]+	299.076853	172.0
[M+K]+	320.006188	159.3
[M+H-H2O]+	264.040290	147.7
[M+HCOO]-	326.041231	169.8
[M+CH3COO]-	340.056881	199.2
[M+Na-2H]-	302.017696	158.3
[M]+	281.04248142	154.6
[M]-	281.04357858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.