CID 15661152

Ethyl 2-(6-chloropyridazin-3-yl)acetate

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CCOC(=O)CC1=NN=C(C=C1)Cl
InChI
InChI=1S/C8H9ClN2O2/c1-2-13-8(12)5-6-3-4-7(9)11-10-6/h3-4H,2,5H2,1H3
InChIKey
TZRXXSGPQOFJKS-UHFFFAOYSA-N
Compound name
ethyl 2-(6-chloropyridazin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

200.03525 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 138.1
[M+Na]+ 223.024468 147.6
[M-H]- 199.027974 139.0
[M+NH4]+ 218.069073 155.6
[M+K]+ 238.998408 144.7
[M+H-H2O]+ 183.032510 131.4
[M+HCOO]- 245.033451 155.4
[M+CH3COO]- 259.049101 182.0
[M+Na-2H]- 221.009916 144.6
[M]+ 200.03470142 142.3
[M]- 200.03579858 142.3
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