CID 115078

Trichlamide

Structural Information

Molecular Formula

C₁₃H₁₆Cl₃NO₃

SMILES

CCCCOC(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)

InChIKey

NHTFLYKPEGXOAN-UHFFFAOYSA-N

Compound name

N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9093
Patents: 339.01956 Da
Monoisotopic Mass: 4.5
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]+	340.02684	173.7
[M+Na]+	362.00878	184.5
[M+NH4]+	357.05338	180.0
[M+K]+	377.98272	178.4
[M-H]-	338.01228	173.4
[M+Na-2H]-	359.99423	177.7
[M]+	339.01901	175.8
[M]-	339.02011	175.8

Literature stripe

literature stripe

Patent stripe

patents stripe