CID 13371074

95458-77-8

Structural Information

Molecular Formula

SMILES

C1=COC(=N1)Cl

InChI

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

InChIKey

SSXYKBHZZRYLLY-UHFFFAOYSA-N

Compound name

2-chloro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 723
Patents: 102.98249 Da
Monoisotopic Mass: 1.1
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]+	103.989766	112.0
[M+Na]+	125.971708	122.6
[M-H]-	101.975214	115.2
[M+NH4]+	121.016313	135.1
[M+K]+	141.945648	121.9
[M+H-H2O]+	85.979750	107.3
[M+HCOO]-	147.980691	132.5
[M+CH3COO]-	161.996341	161.9
[M+Na-2H]-	123.957156	121.5
[M]+	102.98194142	114.6
[M]-	102.98303858	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe