CID 485430

Benzenemethanamine, 2,5-dichloro-n-propyl-

Structural Information

Molecular Formula

C₁₀H₁₃Cl₂N

SMILES

CCCNCC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C10H13Cl2N/c1-2-5-13-7-8-6-9(11)3-4-10(8)12/h3-4,6,13H,2,5,7H2,1H3

InChIKey

DAAGYFHHIDHSAW-UHFFFAOYSA-N

Compound name

N-[(2,5-dichlorophenyl)methyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 217.04251 Da
Monoisotopic Mass: 3.4
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]+	218.04979	145.3
[M+Na]+	240.03173	154.4
[M-H]-	216.03523	148.1
[M+NH4]+	235.07633	165.3
[M+K]+	256.00567	148.6
[M+H-H2O]+	200.03977	141.1
[M+HCOO]-	262.04071	160.7
[M+CH3COO]-	276.05636	189.9
[M+Na-2H]-	238.01718	150.4
[M]+	217.04196	148.5
[M]-	217.04306	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.