CID 3508957

2-chloro-n-[4-(trifluoromethoxy)phenyl]propanamide

Structural Information

Molecular Formula

C₁₀H₉ClF₃NO₂

SMILES

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

InChI

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

InChIKey

YVFWBXRZKCHTLV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.0274 Da
Monoisotopic Mass: 3.6
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	150.6
[M+Na]+	290.016618	158.9
[M-H]-	266.020124	150.5
[M+NH4]+	285.061223	167.7
[M+K]+	305.990558	155.2
[M+H-H2O]+	250.024660	143.1
[M+HCOO]-	312.025601	165.4
[M+CH3COO]-	326.041251	196.2
[M+Na-2H]-	288.002066	154.1
[M]+	267.02685142	149.5
[M]-	267.02794858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.