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: 528
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]+	281.98500	158.3
[M+Na]+	303.96694	171.0
[M+NH4]+	299.01154	166.1
[M+K]+	319.94088	164.0
[M-H]-	279.97044	159.3
[M+Na-2H]-	301.95239	164.4
[M]+	280.97717	161.2
[M]-	280.97827	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe