CID 5708313

28663-68-5

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
CCOC(=O)/C(=N/NC1=CC=CC=C1)/Cl
InChI
InChI=1S/C10H11ClN2O2/c1-2-15-10(14)9(11)13-12-8-6-4-3-5-7-8/h3-7,12H,2H2,1H3/b13-9-
InChIKey
LZCJYKSOIZQABU-LCYFTJDESA-N
Compound name
ethyl (2Z)-2-chloro-2-(phenylhydrazinylidene)acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

45
Patents

226.0509 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05818 148.0
[M+Na]+ 249.04012 154.6
[M-H]- 225.04362 152.7
[M+NH4]+ 244.08472 166.8
[M+K]+ 265.01406 152.0
[M+H-H2O]+ 209.04816 141.9
[M+HCOO]- 271.04910 170.2
[M+CH3COO]- 285.06475 193.2
[M+Na-2H]- 247.02557 153.8
[M]+ 226.05035 150.8
[M]- 226.05145 150.8
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.