CID 56396

92335-32-5

Structural Information

Molecular Formula

C₇H₁₅Cl₃NO

SMILES

C[N+](CCCl)(CCCl)OCCCl

InChI

InChI=1S/C7H15Cl3NO/c1-11(5-2-8,6-3-9)12-7-4-10/h2-7H2,1H3/q+1

InChIKey

ISTSPUQTEPRPKA-UHFFFAOYSA-N

Compound name

2-chloroethoxy-bis(2-chloroethyl)-methylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.02193 Da
Monoisotopic Mass: 2.1
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]+	235.02921	147.0
[M+Na]+	257.01115	154.2
[M-H]-	233.01465	146.5
[M+NH4]+	252.05575	166.3
[M+K]+	272.98509	145.3
[M+H-H2O]+	217.01919	147.2
[M+HCOO]-	279.02013	155.9
[M+CH3COO]-	293.03578	187.9
[M+Na-2H]-	254.99660	154.3
[M]+	234.02138	151.1
[M]-	234.02248	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.