CID 139055

Tetrafluoropyridazine

Structural Information

Molecular Formula

C₄F₄N₂

SMILES

C1(=C(C(=NN=C1F)F)F)F

InChI

InChI=1S/C4F4N2/c5-1-2(6)4(8)10-9-3(1)7

InChIKey

WZGAMTYFRMRZNL-UHFFFAOYSA-N

Compound name

3,4,5,6-tetrafluoropyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 58
Patents: 151.99976 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]+	153.007036	119.2
[M+Na]+	174.988978	131.8
[M-H]-	150.992484	116.1
[M+NH4]+	170.033583	138.2
[M+K]+	190.962918	129.1
[M+H-H2O]+	134.997020	109.5
[M+HCOO]-	196.997961	138.4
[M+CH3COO]-	211.013611	176.3
[M+Na-2H]-	172.974426	125.7
[M]+	151.99921142	114.8
[M]-	152.00030858	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe