CID 86612215

1-chloro-5,7-dimethoxyphthalazine

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=CC2=C(N=NC=C2C(=C1)OC)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-14-6-3-7-8(9(4-6)15-2)5-12-13-10(7)11/h3-5H,1-2H3
InChIKey
YQYHVAXLFIBNFV-UHFFFAOYSA-N
Compound name
1-chloro-5,7-dimethoxyphthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

224.03525 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 143.5
[M+Na]+ 247.024468 155.4
[M-H]- 223.027974 145.9
[M+NH4]+ 242.069073 161.6
[M+K]+ 262.998408 151.5
[M+H-H2O]+ 207.032510 136.5
[M+HCOO]- 269.033451 160.7
[M+CH3COO]- 283.049101 188.4
[M+Na-2H]- 245.009916 151.9
[M]+ 224.03470142 149.5
[M]- 224.03579858 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