CID 136045249

716379-11-2

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: 12
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]+	158.011566	126.4
[M+Na]+	179.993508	136.7
[M-H]-	155.997014	127.7
[M+NH4]+	175.038113	145.4
[M+K]+	195.967448	133.4
[M+H-H2O]+	140.001550	120.0
[M+HCOO]-	202.002491	146.5
[M+CH3COO]-	216.018141	174.9
[M+Na-2H]-	177.978956	136.0
[M]+	157.00374142	128.0
[M]-	157.00483858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe