CID 5539723

Nsc 176283

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
CCOC(=O)/C(=N\NC1=CC=C(C=C1)Cl)/C#N
InChI
InChI=1S/C11H10ClN3O2/c1-2-17-11(16)10(7-13)15-14-9-5-3-8(12)4-6-9/h3-6,14H,2H2,1H3/b15-10-
InChIKey
PQDRRQIRVTVLBS-GDNBJRDFSA-N
Compound name
ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04616 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05344 155.7
[M+Na]+ 274.03538 166.1
[M+NH4]+ 269.07998 159.4
[M+K]+ 290.00932 157.0
[M-H]- 250.03888 150.5
[M+Na-2H]- 272.02083 158.8
[M]+ 251.04561 154.9
[M]- 251.04671 154.9
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.