CID 87349414

5-chloro-2h,3h-[1,4]dioxino[2,3-d]pyridazine

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
C1COC2=C(N=NC=C2O1)Cl
InChI
InChI=1S/C6H5ClN2O2/c7-6-5-4(3-8-9-6)10-1-2-11-5/h3H,1-2H2
InChIKey
JJGBWMWDDPNMPK-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-[1,4]dioxino[2,3-d]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

172.00395 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.011226 129.2
[M+Na]+ 194.993168 139.1
[M-H]- 170.996674 132.0
[M+NH4]+ 190.037773 146.0
[M+K]+ 210.967108 138.5
[M+H-H2O]+ 155.001210 122.4
[M+HCOO]- 217.002151 142.9
[M+CH3COO]- 231.017801 142.8
[M+Na-2H]- 192.978616 140.3
[M]+ 172.00340142 131.2
[M]- 172.00449858 131.2
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