CID 10015539

13156-84-8

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H12ClNO2/c15-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)17/h1-8,17H,9H2,(H,16,18)

InChIKey

NPGVONKQDFRJCF-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.05566 Da
Monoisotopic Mass: 3.5
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]+	262.062936	156.1
[M+Na]+	284.044878	164.2
[M-H]-	260.048384	161.7
[M+NH4]+	279.089483	172.8
[M+K]+	300.018818	158.5
[M+H-H2O]+	244.052920	149.8
[M+HCOO]-	306.053861	175.2
[M+CH3COO]-	320.069511	193.9
[M+Na-2H]-	282.030326	161.0
[M]+	261.05511142	157.2
[M]-	261.05620858	157.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.