CID 2821257

28191-75-5

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

CC(=NOCC(=O)O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H10ClNO3/c1-7(12-15-6-10(13)14)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,13,14)

InChIKey

VPZKWIDEBRBPHA-UHFFFAOYSA-N

Compound name

2-[1-(4-chlorophenyl)ethylideneamino]oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 227.03493 Da
Monoisotopic Mass: 2.4
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]+	228.042206	145.6
[M+Na]+	250.024148	153.4
[M-H]-	226.027654	149.4
[M+NH4]+	245.068753	164.2
[M+K]+	265.998088	150.6
[M+H-H2O]+	210.032190	140.3
[M+HCOO]-	272.033131	165.5
[M+CH3COO]-	286.048781	189.5
[M+Na-2H]-	248.009596	150.0
[M]+	227.03438142	149.2
[M]-	227.03547858	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe