CID 9577629

En-3638

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₄

SMILES

C1=CC(=C(C(=C1)O)C(=O)O)/C=N/OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H12ClNO4/c16-12-6-4-10(5-7-12)9-21-17-8-11-2-1-3-13(18)14(11)15(19)20/h1-8,18H,9H2,(H,19,20)/b17-8+

InChIKey

CNKBWKDFEFBOLG-CAOOACKPSA-N

Compound name

2-[(E)-(4-chlorophenyl)methoxyiminomethyl]-6-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 305.04547 Da
Monoisotopic Mass: 3.8
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]+	306.05275	165.0
[M+Na]+	328.03469	173.4
[M-H]-	304.03819	170.8
[M+NH4]+	323.07929	179.8
[M+K]+	344.00863	168.4
[M+H-H2O]+	288.04273	158.2
[M+HCOO]-	350.04367	184.3
[M+CH3COO]-	364.05932	201.6
[M+Na-2H]-	326.02014	168.8
[M]+	305.04492	169.0
[M]-	305.04602	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe