CID 56832305

Ethyl chloro[(4-methoxyphenyl)hydrazono]acetate

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-GXDHUFHOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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]+	257.068736	154.9
[M+Na]+	279.050678	161.9
[M-H]-	255.054184	159.8
[M+NH4]+	274.095283	172.7
[M+K]+	295.024618	159.7
[M+H-H2O]+	239.058720	148.6
[M+HCOO]-	301.059661	177.0
[M+CH3COO]-	315.075311	199.4
[M+Na-2H]-	277.036126	159.5
[M]+	256.06091142	159.9
[M]-	256.06200858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe