CID 12045193

1,4-difluorophthalazine

Structural Information

Molecular Formula

C₈H₄F₂N₂

SMILES

C1=CC=C2C(=C1)C(=NN=C2F)F

InChI

InChI=1S/C8H4F2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H

InChIKey

UCIZVQUARONJGJ-UHFFFAOYSA-N

Compound name

1,4-difluorophthalazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 166.03426 Da
Monoisotopic Mass: 2.5
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]+	167.04154	127.9
[M+Na]+	189.02348	139.4
[M-H]-	165.02698	127.8
[M+NH4]+	184.06808	147.3
[M+K]+	204.99742	135.6
[M+H-H2O]+	149.03152	119.1
[M+HCOO]-	211.03246	148.0
[M+CH3COO]-	225.04811	141.6
[M+Na-2H]-	187.00893	137.5
[M]+	166.03371	125.9
[M]-	166.03481	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe