CID 6524767

Brn 1823165

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CC(C)OC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/C#N
InChI
InChI=1S/C12H12ClN3O2/c1-8(2)18-12(17)11(7-14)16-15-10-5-3-4-9(13)6-10/h3-6,8,15H,1-2H3/b16-11-
InChIKey
GVJKGDMZJLJBGA-WJDWOHSUSA-N
Compound name
propan-2-yl (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 162.9
[M+Na]+ 288.05102 171.3
[M-H]- 264.05452 166.9
[M+NH4]+ 283.09562 178.4
[M+K]+ 304.02496 167.9
[M+H-H2O]+ 248.05906 150.2
[M+HCOO]- 310.06000 179.9
[M+CH3COO]- 324.07565 212.5
[M+Na-2H]- 286.03647 165.0
[M]+ 265.06125 160.6
[M]- 265.06235 160.6
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.