CID 6401197

1-chloro-4-methoxyphthalazine

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
COC1=NN=C(C2=CC=CC=C21)Cl
InChI
InChI=1S/C9H7ClN2O/c1-13-9-7-5-3-2-4-6(7)8(10)11-12-9/h2-5H,1H3
InChIKey
GWYZIDACSVOFQB-UHFFFAOYSA-N
Compound name
1-chloro-4-methoxyphthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

194.02469 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 136.1
[M+Na]+ 217.01391 152.8
[M+NH4]+ 212.05851 145.7
[M+K]+ 232.98785 144.6
[M-H]- 193.01741 138.7
[M+Na-2H]- 214.99936 144.8
[M]+ 194.02414 139.6
[M]- 194.02524 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe