CID 22608

Brn 2392975

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₄

SMILES

C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)OCC(=O)O

InChI

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

InChIKey

LYTLWBKQQIBQGA-UHFFFAOYSA-N

Compound name

2-(2-benzamido-4-chlorophenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 305.04547 Da
Monoisotopic Mass: 2.4
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]+	306.052746	164.9
[M+Na]+	328.034688	172.2
[M-H]-	304.038194	170.5
[M+NH4]+	323.079293	179.4
[M+K]+	344.008628	167.7
[M+H-H2O]+	288.042730	158.1
[M+HCOO]-	350.043671	183.3
[M+CH3COO]-	364.059321	201.3
[M+Na-2H]-	326.020136	168.3
[M]+	305.04492142	168.0
[M]-	305.04601858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe