CID 9576142

Pyruvohydroximoyl chloride

Structural Information

Molecular Formula

C₃H₄ClNO₂

SMILES

CC(=O)/C(=N/O)/Cl

InChI

InChI=1S/C3H4ClNO2/c1-2(6)3(4)5-7/h7H,1H3/b5-3-

InChIKey

KCMDLQKACKNGMB-HYXAFXHYSA-N

Compound name

(1Z)-N-hydroxy-2-oxopropanimidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 120.99306 Da
Monoisotopic Mass: 1.5
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]+	122.00034	118.5
[M+Na]+	143.98228	127.0
[M-H]-	119.98578	119.4
[M+NH4]+	139.02688	141.4
[M+K]+	159.95622	125.9
[M+H-H2O]+	103.99032	115.3
[M+HCOO]-	165.99126	138.7
[M+CH3COO]-	180.00691	169.9
[M+Na-2H]-	141.96773	124.5
[M]+	120.99251	119.7
[M]-	120.99361	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe