CID 6524758

Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester

Structural Information

Molecular Formula
C11H9ClN4O4
SMILES
CCOC(=O)/C(=N\NC1=CC(=C(C=C1)[N+](=O)[O-])Cl)/C#N
InChI
InChI=1S/C11H9ClN4O4/c1-2-20-11(17)9(6-13)15-14-7-3-4-10(16(18)19)8(12)5-7/h3-5,14H,2H2,1H3/b15-9-
InChIKey
ITQWUHCDHMFJGM-DHDCSXOGSA-N
Compound name
ethyl (2Z)-2-[(3-chloro-4-nitrophenyl)hydrazinylidene]-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.03122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03850 169.9
[M+Na]+ 319.02044 177.6
[M-H]- 295.02394 173.6
[M+NH4]+ 314.06504 183.1
[M+K]+ 334.99438 171.3
[M+H-H2O]+ 279.02848 161.1
[M+HCOO]- 341.02942 188.6
[M+CH3COO]- 355.04507 210.8
[M+Na-2H]- 317.00589 173.4
[M]+ 296.03067 166.6
[M]- 296.03177 166.6
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.