CID 15271578

1-chloro-7-methoxyphthalazine

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
COC1=CC2=C(N=NC=C2C=C1)Cl
InChI
InChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-12-9(10)8(6)4-7/h2-5H,1H3
InChIKey
SLDSSDJHOPSSSK-UHFFFAOYSA-N
Compound name
1-chloro-7-methoxyphthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

194.02469 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 135.8
[M+Na]+ 217.01391 147.3
[M-H]- 193.01741 138.0
[M+NH4]+ 212.05851 154.9
[M+K]+ 232.98785 143.1
[M+H-H2O]+ 177.02195 129.0
[M+HCOO]- 239.02289 153.2
[M+CH3COO]- 253.03854 149.7
[M+Na-2H]- 214.99936 145.5
[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

No literature data available for this compound.

Patent stripe

patents stripe