CID 333186

28663-68-5

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₂

SMILES

CCOC(=O)C(=NNC1=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

InChIKey

LZCJYKSOIZQABU-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-2-(phenylhydrazinylidene)acetate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 0
References: 40
Patents: 226.0509 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe