CID 11087263

89238-99-3

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃NO₂

SMILES

COC1=CC=C(C=C1)COC(=N)C(Cl)(Cl)Cl

InChI

InChI=1S/C10H10Cl3NO2/c1-15-8-4-2-7(3-5-8)6-16-9(14)10(11,12)13/h2-5,14H,6H2,1H3

InChIKey

TYHGKLBJBHACOI-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)methyl 2,2,2-trichloroethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 559
Patents: 280.97772 Da
Monoisotopic Mass: 3.5
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]+	281.984996	156.5
[M+Na]+	303.966938	165.1
[M-H]-	279.970444	158.7
[M+NH4]+	299.011543	173.7
[M+K]+	319.940878	159.8
[M+H-H2O]+	263.974980	153.2
[M+HCOO]-	325.975921	164.8
[M+CH3COO]-	339.991571	196.9
[M+Na-2H]-	301.952386	160.8
[M]+	280.97717142	160.5
[M]-	280.97826858	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe