CID 6524772

Brn 1823229

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 159.5
[M+Na]+ 288.05102 169.4
[M+NH4]+ 283.09562 162.9
[M+K]+ 304.02496 160.9
[M-H]- 264.05452 154.1
[M+Na-2H]- 286.03647 162.1
[M]+ 265.06125 158.5
[M]- 265.06235 158.5
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.