CID 9588132

Brn 0928449

Structural Information

Molecular Formula
C10H11ClN4O4
SMILES
COC(=O)C/C(=N\NC1=NN=C(C=C1)Cl)/C(=O)OC
InChI
InChI=1S/C10H11ClN4O4/c1-18-9(16)5-6(10(17)19-2)12-14-8-4-3-7(11)13-15-8/h3-4H,5H2,1-2H3,(H,14,15)/b12-6+
InChIKey
QLJNDAMRMAPAKK-WUXMJOGZSA-N
Compound name
dimethyl (2E)-2-[(6-chloropyridazin-3-yl)hydrazinylidene]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.04688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05416 158.5
[M+Na]+ 309.03610 165.7
[M-H]- 285.03960 161.0
[M+NH4]+ 304.08070 172.2
[M+K]+ 325.01004 164.2
[M+H-H2O]+ 269.04414 150.5
[M+HCOO]- 331.04508 177.8
[M+CH3COO]- 345.06073 203.4
[M+Na-2H]- 307.02155 163.1
[M]+ 286.04633 164.1
[M]- 286.04743 164.1
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

No patent data available for this compound.