CID 17888923

4-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula

C₅H₃F₃N₂

SMILES

C1=CN=NC=C1C(F)(F)F

InChI

InChI=1S/C5H3F3N2/c6-5(7,8)4-1-2-9-10-3-4/h1-3H

InChIKey

RKYLAEZHYUWJRS-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 148.02483 Da
Monoisotopic Mass: 0.2
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]+	149.03211	122.9
[M+Na]+	171.01405	132.8
[M-H]-	147.01755	120.3
[M+NH4]+	166.05865	141.5
[M+K]+	186.98799	130.7
[M+H-H2O]+	131.02209	113.9
[M+HCOO]-	193.02303	141.4
[M+CH3COO]-	207.03868	172.7
[M+Na-2H]-	168.99950	132.2
[M]+	148.02428	118.3
[M]-	148.02538	118.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe