CID 3086438

Ns00122077

Structural Information

Molecular Formula

C₃H₅Cl₂NO

SMILES

C(C=CCl)ONCl

InChI

InChI=1S/C3H5Cl2NO/c4-2-1-3-7-6-5/h1-2,6H,3H2

InChIKey

HTZKADISVSIMGP-UHFFFAOYSA-N

Compound name

1-chloro-3-(chloroamino)oxyprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.97482 Da
Monoisotopic Mass: 1.1
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]+	141.982096	123.0
[M+Na]+	163.964038	132.0
[M-H]-	139.967544	122.8
[M+NH4]+	159.008643	145.5
[M+K]+	179.937978	128.4
[M+H-H2O]+	123.972080	120.5
[M+HCOO]-	185.973021	139.5
[M+CH3COO]-	199.988671	172.2
[M+Na-2H]-	161.949486	130.5
[M]+	140.97427142	125.4
[M]-	140.97536858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.