CID 19797638

147498-88-2

Structural Information

Molecular Formula

C₉H₁₁Cl₂N

SMILES

C1=CC(=C(C=C1Cl)Cl)CCCN

InChI

InChI=1S/C9H11Cl2N/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6H,1-2,5,12H2

InChIKey

TYLNWUPRLIORDX-UHFFFAOYSA-N

Compound name

3-(2,4-dichlorophenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 203.02686 Da
Monoisotopic Mass: 2.9
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]+	204.03414	141.1
[M+Na]+	226.01608	150.7
[M-H]-	202.01958	143.7
[M+NH4]+	221.06068	161.4
[M+K]+	241.99002	144.8
[M+H-H2O]+	186.02412	137.3
[M+HCOO]-	248.02506	156.3
[M+CH3COO]-	262.04071	186.3
[M+Na-2H]-	224.00153	145.7
[M]+	203.02631	142.9
[M]-	203.02741	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe