CID 13741013

3-chloro-4,5-dimethoxypyridazine

Structural Information

Molecular Formula
C6H7ClN2O2
SMILES
COC1=CN=NC(=C1OC)Cl
InChI
InChI=1S/C6H7ClN2O2/c1-10-4-3-8-9-6(7)5(4)11-2/h3H,1-2H3
InChIKey
AYYFMEBRLAAWOB-UHFFFAOYSA-N
Compound name
3-chloro-4,5-dimethoxypyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

174.0196 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02688 129.5
[M+Na]+ 197.00882 140.8
[M-H]- 173.01232 131.0
[M+NH4]+ 192.05342 148.5
[M+K]+ 212.98276 138.6
[M+H-H2O]+ 157.01686 123.3
[M+HCOO]- 219.01780 148.3
[M+CH3COO]- 233.03345 177.8
[M+Na-2H]- 194.99427 137.6
[M]+ 174.01905 134.8
[M]- 174.02015 134.8
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