CID 44207238

Zl006

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₄

SMILES

C1=CC(=C(C=C1NCC2=C(C(=CC(=C2)Cl)Cl)O)O)C(=O)O

InChI

InChI=1S/C14H11Cl2NO4/c15-8-3-7(13(19)11(16)4-8)6-17-9-1-2-10(14(20)21)12(18)5-9/h1-5,17-19H,6H2,(H,20,21)

InChIKey

RTEYSQSXRFVKTJ-UHFFFAOYSA-N

Compound name

4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 34
Patents: 327.0065 Da
Monoisotopic Mass: 4.0
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]+	328.01378	165.9
[M+Na]+	349.99572	175.7
[M-H]-	325.99922	169.2
[M+NH4]+	345.04032	179.6
[M+K]+	365.96966	169.0
[M+H-H2O]+	310.00376	161.4
[M+HCOO]-	372.00470	177.4
[M+CH3COO]-	386.02035	202.5
[M+Na-2H]-	347.98117	167.3
[M]+	327.00595	168.9
[M]-	327.00705	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe