CID 58443683

1228284-78-3

Structural Information

Molecular Formula

C₁₀H₁₂Cl₃NO

SMILES

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

InChI

InChI=1S/C10H12Cl3NO/c1-6(14-15-2)3-8-9(12)4-7(11)5-10(8)13/h4-6,14H,3H2,1-2H3

InChIKey

YEYSNJKFDGOAAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 266.99844 Da
Monoisotopic Mass: 4.1
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]+	268.00572	153.5
[M+Na]+	289.98766	163.1
[M-H]-	265.99116	155.7
[M+NH4]+	285.03226	171.6
[M+K]+	305.96160	157.5
[M+H-H2O]+	249.99570	150.3
[M+HCOO]-	311.99664	162.8
[M+CH3COO]-	326.01229	199.0
[M+Na-2H]-	287.97311	155.7
[M]+	266.99789	158.0
[M]-	266.99899	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe