CID 52318

73728-65-1

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂NO

SMILES

CCOCCNCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H15Cl2NO/c1-2-15-6-5-14-8-9-3-4-10(12)11(13)7-9/h3-4,7,14H,2,5-6,8H2,1H3

InChIKey

QBHKPKCAZCWMAE-UHFFFAOYSA-N

Compound name

N-[(3,4-dichlorophenyl)methyl]-2-ethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.05307 Da
Monoisotopic Mass: 2.8
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]+	248.060346	152.6
[M+Na]+	270.042288	161.2
[M-H]-	246.045794	155.3
[M+NH4]+	265.086893	171.4
[M+K]+	286.016228	155.7
[M+H-H2O]+	230.050330	148.0
[M+HCOO]-	292.051271	167.9
[M+CH3COO]-	306.066921	194.8
[M+Na-2H]-	268.027736	157.2
[M]+	247.05252142	157.6
[M]-	247.05361858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe