CID 135542399

147085-13-0

Structural Information

Molecular Formula

C₃H₃ClN₄O₂

SMILES

C1(=NON=C1N)/C(=N\O)/Cl

InChI

InChI=1S/C3H3ClN4O2/c4-2(6-9)1-3(5)8-10-7-1/h9H,(H2,5,8)/b6-2+

InChIKey

LVNWHKAEEDWAGF-QHHAFSJGSA-N

Compound name

(3E)-4-amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 161.99445 Da
Monoisotopic Mass: 0.5
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]+	163.00173	128.4
[M+Na]+	184.98367	138.0
[M-H]-	160.98717	130.1
[M+NH4]+	180.02827	146.8
[M+K]+	200.95761	136.9
[M+H-H2O]+	144.99171	121.7
[M+HCOO]-	206.99265	148.4
[M+CH3COO]-	221.00830	176.2
[M+Na-2H]-	182.96912	135.2
[M]+	161.99390	129.3
[M]-	161.99500	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe