CID 130559232

2792200-45-2

Structural Information

Molecular Formula

C₅H₅F₂N₃O

SMILES

C1=CC(=NN=C1N)OC(F)F

InChI

InChI=1S/C5H5F2N3O/c6-5(7)11-4-2-1-3(8)9-10-4/h1-2,5H,(H2,8,9)

InChIKey

KRHJCGILTUXPCI-UHFFFAOYSA-N

Compound name

6-(difluoromethoxy)pyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.04007 Da
Monoisotopic Mass: 0.8
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]+	162.04735	127.2
[M+Na]+	184.02929	136.2
[M-H]-	160.03279	125.4
[M+NH4]+	179.07389	144.7
[M+K]+	200.00323	134.6
[M+H-H2O]+	144.03733	118.2
[M+HCOO]-	206.03827	148.0
[M+CH3COO]-	220.05392	178.2
[M+Na-2H]-	182.01474	133.8
[M]+	161.03952	123.8
[M]-	161.04062	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.