CID 18001109

Ethyl 2-amino-5-chloro-3-hydroxybenzoate

Structural Information

Molecular Formula

C₉H₁₀ClNO₃

SMILES

CCOC(=O)C1=C(C(=CC(=C1)Cl)O)N

InChI

InChI=1S/C9H10ClNO3/c1-2-14-9(13)6-3-5(10)4-7(12)8(6)11/h3-4,12H,2,11H2,1H3

InChIKey

VAMBURGWOHFXGE-UHFFFAOYSA-N

Compound name

ethyl 2-amino-5-chloro-3-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 215.03493 Da
Monoisotopic Mass: 2.3
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]+	216.04221	142.2
[M+Na]+	238.02415	154.3
[M+NH4]+	233.06875	149.6
[M+K]+	253.99809	149.2
[M-H]-	214.02765	143.4
[M+Na-2H]-	236.00960	147.2
[M]+	215.03438	144.3
[M]-	215.03548	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe