CID 3164162

878427-08-8

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

CC1(CC(=NO1)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C11H10ClNO3/c1-11(10(14)15)6-9(13-16-11)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,14,15)

InChIKey

ZRRIBPPHPPYNFM-UHFFFAOYSA-N

Compound name

3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.03493 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]+	240.042206	147.5
[M+Na]+	262.024148	157.4
[M-H]-	238.027654	152.9
[M+NH4]+	257.068753	166.5
[M+K]+	277.998088	154.5
[M+H-H2O]+	222.032190	142.2
[M+HCOO]-	284.033131	163.8
[M+CH3COO]-	298.048781	185.1
[M+Na-2H]-	260.009596	152.3
[M]+	239.03438142	150.3
[M]-	239.03547858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe