CID 20511177

1-chloro-6,7-dimethoxyphthalazine

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=C(C=C2C(=C1)C=NN=C2Cl)OC
InChI
InChI=1S/C10H9ClN2O2/c1-14-8-3-6-5-12-13-10(11)7(6)4-9(8)15-2/h3-5H,1-2H3
InChIKey
DSFKIBHRGIYRNZ-UHFFFAOYSA-N
Compound name
1-chloro-6,7-dimethoxyphthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

224.03525 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 143.5
[M+Na]+ 247.02447 155.4
[M-H]- 223.02797 145.9
[M+NH4]+ 242.06907 161.6
[M+K]+ 262.99841 151.5
[M+H-H2O]+ 207.03251 136.5
[M+HCOO]- 269.03345 160.7
[M+CH3COO]- 283.04910 188.4
[M+Na-2H]- 245.00992 151.9
[M]+ 224.03470 149.5
[M]- 224.03580 149.5
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