CID 97180481

1437436-31-1

Structural Information

Molecular Formula

C₈H₈ClF₃N₂

SMILES

CC(C)C1=NN=C(C(=C1)C(F)(F)F)Cl

InChI

InChI=1S/C8H8ClF3N2/c1-4(2)6-3-5(8(10,11)12)7(9)14-13-6/h3-4H,1-2H3

InChIKey

BROVDXVGUXQGTL-UHFFFAOYSA-N

Compound name

3-chloro-6-propan-2-yl-4-(trifluoromethyl)pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.0328 Da
Monoisotopic Mass: 2.9
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]+	225.04008	140.2
[M+Na]+	247.02202	151.1
[M-H]-	223.02552	137.7
[M+NH4]+	242.06662	157.2
[M+K]+	262.99596	146.8
[M+H-H2O]+	207.03006	131.6
[M+HCOO]-	269.03100	152.1
[M+CH3COO]-	283.04665	188.6
[M+Na-2H]-	245.00747	144.9
[M]+	224.03225	138.7
[M]-	224.03335	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe