CID 245912

6626-90-0

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

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

InChI

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

InChIKey

VVZNWZXSCQJOKC-UHFFFAOYSA-N

Compound name

N-benzyl-5-chloro-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 261.05566 Da
Monoisotopic Mass: 4.3
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

patents stripe