CID 9207

Phthalazine

Structural Information

Molecular Formula

C₈H₆N₂

SMILES

C1=CC=C2C=NN=CC2=C1

InChI

InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H

InChIKey

LFSXCDWNBUNEEM-UHFFFAOYSA-N

Compound name

phthalazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 160
References: 149490
Patents: 130.0531 Da
Monoisotopic Mass: 0.6
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]+	131.06038	122.2
[M+Na]+	153.04232	131.6
[M-H]-	129.04582	124.1
[M+NH4]+	148.08692	142.5
[M+K]+	169.01626	128.8
[M+H-H2O]+	113.05036	114.9
[M+HCOO]-	175.05130	144.4
[M+CH3COO]-	189.06695	136.3
[M+Na-2H]-	151.02777	134.5
[M]+	130.05255	121.5
[M]-	130.05365	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe