CID 12218955

27143-07-3

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₃

SMILES

CCOC(=O)/C(=N/NC1=CC=C(C=C1)OC)/Cl

InChI

InChI=1S/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3/b14-10-

InChIKey

ATNPZEGMKLGIFA-UVTDQMKNSA-N

Compound name

ethyl (2Z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 256.06146 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]+	257.06874	154.6
[M+Na]+	279.05068	165.3
[M+NH4]+	274.09528	161.5
[M+K]+	295.02462	159.6
[M-H]-	255.05418	156.4
[M+Na-2H]-	277.03613	160.3
[M]+	256.06091	156.6
[M]-	256.06201	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe