CID 43697093

1156050-96-2

Structural Information

Molecular Formula

C₁₀H₉ClF₃NO₂

SMILES

COC1=CC(=C(C=C1)NC(=O)CCl)C(F)(F)F

InChI

InChI=1S/C10H9ClF3NO2/c1-17-6-2-3-8(15-9(16)5-11)7(4-6)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)

InChIKey

QXMVFCNISQNIBZ-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.0274 Da
Monoisotopic Mass: 1.9
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]+	268.034676	150.7
[M+Na]+	290.016618	160.2
[M-H]-	266.020124	150.9
[M+NH4]+	285.061223	168.2
[M+K]+	305.990558	156.0
[M+H-H2O]+	250.024660	143.3
[M+HCOO]-	312.025601	166.4
[M+CH3COO]-	326.041251	196.5
[M+Na-2H]-	288.002066	154.6
[M]+	267.02685142	150.5
[M]-	267.02794858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.