CID 28808495

24146-84-7

Structural Information

Molecular Formula

C₁₁H₈ClNO₃

SMILES

C1=CC(=CC=C1C2=CC(=NO2)CC(=O)O)Cl

InChI

InChI=1S/C11H8ClNO3/c12-8-3-1-7(2-4-8)10-5-9(13-16-10)6-11(14)15/h1-5H,6H2,(H,14,15)

InChIKey

LHGYCEYGPIOBQW-UHFFFAOYSA-N

Compound name

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.01927 Da
Monoisotopic Mass: 2.2
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]+	238.02655	147.6
[M+Na]+	260.00849	157.5
[M-H]-	236.01199	153.0
[M+NH4]+	255.05309	164.6
[M+K]+	275.98243	154.2
[M+H-H2O]+	220.01653	141.4
[M+HCOO]-	282.01747	165.2
[M+CH3COO]-	296.03312	185.2
[M+Na-2H]-	257.99394	151.9
[M]+	237.01872	151.5
[M]-	237.01982	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe