CID 56357

92204-31-4

Structural Information

Molecular Formula

C₇H₁₆Cl₂NO

SMILES

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

InChI

InChI=1S/C7H16Cl2NO/c1-3-11-10(2,6-4-8)7-5-9/h3-7H2,1-2H3/q+1

InChIKey

HIFNDAYOFCCLHE-UHFFFAOYSA-N

Compound name

bis(2-chloroethyl)-ethoxy-methylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.0609 Da
Monoisotopic Mass: 1.9
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]+	201.06818	140.0
[M+Na]+	223.05012	147.6
[M-H]-	199.05362	140.9
[M+NH4]+	218.09472	161.0
[M+K]+	239.02406	139.6
[M+H-H2O]+	183.05816	139.9
[M+HCOO]-	245.05910	154.6
[M+CH3COO]-	259.07475	182.3
[M+Na-2H]-	221.03557	148.8
[M]+	200.06035	144.5
[M]-	200.06145	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.