CID 162345218

Ns00133157

Structural Information

Molecular Formula

C₄H₅Cl₃N₂O₂

SMILES

C(C(=O)NC(N=C(Cl)Cl)O)Cl

InChI

InChI=1S/C4H5Cl3N2O2/c5-1-2(10)8-4(11)9-3(6)7/h4,11H,1H2,(H,8,10)

InChIKey

IXYJMAKQBAEXMA-UHFFFAOYSA-N

Compound name

2-chloro-N-[(dichloromethylideneamino)-hydroxymethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.94167 Da
Monoisotopic Mass: 1.4
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]+	218.948946	139.9
[M+Na]+	240.930888	147.3
[M-H]-	216.934394	139.0
[M+NH4]+	235.975493	158.8
[M+K]+	256.904828	143.5
[M+H-H2O]+	200.938930	138.0
[M+HCOO]-	262.939871	149.6
[M+CH3COO]-	276.955521	188.4
[M+Na-2H]-	238.916336	142.5
[M]+	217.94112142	141.1
[M]-	217.94221858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.