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 157.9
[M+Na]+ 274.03538 166.9
[M-H]- 250.03888 161.9
[M+NH4]+ 269.07998 173.8
[M+K]+ 290.00932 163.2
[M+H-H2O]+ 234.04342 145.2
[M+HCOO]- 296.04436 176.0
[M+CH3COO]- 310.06001 209.1
[M+Na-2H]- 272.02083 161.5
[M]+ 251.04561 155.7
[M]- 251.04671 155.7
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.