CID 136045249

6-chloro-pyridazine-3-carbaldehyde oxime

Structural Information

Molecular Formula

C₅H₄ClN₃O

SMILES

C1=CC(=NN=C1/C=N/O)Cl

InChI

InChI=1S/C5H4ClN3O/c6-5-2-1-4(3-7-10)8-9-5/h1-3,10H/b7-3+

InChIKey

GMSTWAWXGCXWFN-XVNBXDOJSA-N

Compound name

(NE)-N-[(6-chloropyridazin-3-yl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 157.00429 Da
Monoisotopic Mass: 0.9
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]+	158.01157	126.5
[M+Na]+	179.99351	140.3
[M+NH4]+	175.03811	134.6
[M+K]+	195.96745	133.8
[M-H]-	155.99701	127.8
[M+Na-2H]-	177.97896	134.4
[M]+	157.00374	128.9
[M]-	157.00484	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe