CID 59564052

Methyl 4-amino-3-chloro-2-hydroxybenzoate

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

COC(=O)C1=C(C(=C(C=C1)N)Cl)O

InChI

InChI=1S/C8H8ClNO3/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3,11H,10H2,1H3

InChIKey

BDSLMUXDNFHBIQ-UHFFFAOYSA-N

Compound name

methyl 4-amino-3-chloro-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 201.01927 Da
Monoisotopic Mass: 1.9
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]+	202.02655	137.7
[M+Na]+	224.00849	150.0
[M+NH4]+	219.05309	145.2
[M+K]+	239.98243	145.2
[M-H]-	200.01199	138.9
[M+Na-2H]-	221.99394	143.0
[M]+	201.01872	139.8
[M]-	201.01982	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe