CID 12475721

3-chloro-1,2-oxazole

Structural Information

Molecular Formula

SMILES

C1=CON=C1Cl

InChI

InChI=1S/C3H2ClNO/c4-3-1-2-6-5-3/h1-2H

InChIKey

AJRGDQWFWJDYDP-UHFFFAOYSA-N

Compound name

3-chloro-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 342
Patents: 102.98249 Da
Monoisotopic Mass: 1.3
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]+	103.98977	112.0
[M+Na]+	125.97171	122.6
[M-H]-	101.97521	115.2
[M+NH4]+	121.01631	135.1
[M+K]+	141.94565	121.9
[M+H-H2O]+	85.979750	107.3
[M+HCOO]-	147.98069	132.5
[M+CH3COO]-	161.99634	161.9
[M+Na-2H]-	123.95716	121.5
[M]+	102.98194	114.6
[M]-	102.98304	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe