CID 57691654

4-chloro-6-methoxy-1-methylphthalazine

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

CC1=C2C=CC(=CC2=C(N=N1)Cl)OC

InChI

InChI=1S/C10H9ClN2O/c1-6-8-4-3-7(14-2)5-9(8)10(11)13-12-6/h3-5H,1-2H3

InChIKey

NIMAOIGTLZDTPS-UHFFFAOYSA-N

Compound name

4-chloro-6-methoxy-1-methylphthalazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 208.04034 Da
Monoisotopic Mass: 2.4
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]+	209.04762	140.7
[M+Na]+	231.02956	157.6
[M+NH4]+	226.07416	150.2
[M+K]+	247.00350	149.3
[M-H]-	207.03306	143.3
[M+Na-2H]-	229.01501	148.9
[M]+	208.03979	144.3
[M]-	208.04089	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe