CID 12290019

58131-64-9

Structural Information

Molecular Formula

C₉H₉ClN₂O₂

SMILES

COC(=O)/C(=N/NC1=CC=CC=C1)/Cl

InChI

InChI=1S/C9H9ClN2O2/c1-14-9(13)8(10)12-11-7-5-3-2-4-6-7/h2-6,11H,1H3/b12-8-

InChIKey

XHGKYBPODWOQIT-WQLSENKSSA-N

Compound name

methyl (2Z)-2-chloro-2-(phenylhydrazinylidene)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 212.03525 Da
Monoisotopic Mass: 3.5
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]+	213.04253	143.2
[M+Na]+	235.02447	154.4
[M+NH4]+	230.06907	151.0
[M+K]+	250.99841	148.4
[M-H]-	211.02797	145.6
[M+Na-2H]-	233.00992	150.1
[M]+	212.03470	145.5
[M]-	212.03580	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe