CID 76787515

Dtxsid301035766

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃NO

SMILES

CC(=NOC)CC1=C(C=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C10H10Cl3NO/c1-6(14-15-2)3-8-9(12)4-7(11)5-10(8)13/h4-5H,3H2,1-2H3

InChIKey

ONALTRORXRRIQR-UHFFFAOYSA-N

Compound name

N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 264.9828 Da
Monoisotopic Mass: 4.0
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]+	265.990076	152.9
[M+Na]+	287.972018	163.3
[M-H]-	263.975524	156.5
[M+NH4]+	283.016623	171.8
[M+K]+	303.945958	157.9
[M+H-H2O]+	247.980060	149.4
[M+HCOO]-	309.981001	163.8
[M+CH3COO]-	323.996651	200.0
[M+Na-2H]-	285.957466	155.5
[M]+	264.98225142	158.5
[M]-	264.98334858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe