CID 71695292

1206524-27-7

Structural Information

Molecular Formula

C₆H₂F₃N₃

SMILES

C1=CC(=NN=C1C#N)C(F)(F)F

InChI

InChI=1S/C6H2F3N3/c7-6(8,9)5-2-1-4(3-10)11-12-5/h1-2H

InChIKey

MWVDPHAXQYWTJH-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)pyridazine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.02008 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]+	174.02736	125.9
[M+Na]+	196.00930	136.8
[M-H]-	172.01280	122.8
[M+NH4]+	191.05390	141.4
[M+K]+	211.98324	134.5
[M+H-H2O]+	156.01734	110.0
[M+HCOO]-	218.01828	140.7
[M+CH3COO]-	232.03393	190.5
[M+Na-2H]-	193.99475	133.3
[M]+	173.01953	116.9
[M]-	173.02063	116.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.