CID 346985

42027-37-2

Structural Information

Molecular Formula

C₁₄H₁₀ClNO₂

SMILES

C1=CC=C(C(=C1)C=NC2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C14H10ClNO2/c15-12-7-3-1-5-10(12)9-16-13-8-4-2-6-11(13)14(17)18/h1-9H,(H,17,18)

InChIKey

YBTFPRVPEDKABZ-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenyl)methylideneamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 259.04 Da
Monoisotopic Mass: 3.4
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]+	260.04728	155.0
[M+Na]+	282.02922	163.8
[M-H]-	258.03272	162.0
[M+NH4]+	277.07382	172.3
[M+K]+	298.00316	158.4
[M+H-H2O]+	242.03726	148.4
[M+HCOO]-	304.03820	175.7
[M+CH3COO]-	318.05385	195.5
[M+Na-2H]-	280.01467	160.3
[M]+	259.03945	157.2
[M]-	259.04055	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe