CID 2736668

175278-36-1

Structural Information

Molecular Formula

C₉H₇ClF₃NO₂

SMILES

CC(=O)NC1=C(C=C(C=C1)Cl)OC(F)(F)F

InChI

InChI=1S/C9H7ClF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)

InChIKey

RIYOBXWNWKZLSR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 253.01173 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]+	254.01901	149.7
[M+Na]+	276.00095	158.6
[M+NH4]+	271.04555	154.8
[M+K]+	291.97489	154.0
[M-H]-	252.00445	146.5
[M+Na-2H]-	273.98640	153.5
[M]+	253.01118	149.9
[M]-	253.01228	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe