CID 21698363

98020-14-5

Structural Information

Molecular Formula

SMILES

C1=C(C=NO1)CCl

InChI

InChI=1S/C4H4ClNO/c5-1-4-2-6-7-3-4/h2-3H,1H2

InChIKey

HFVWUKGIHULGLY-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 116.99814 Da
Monoisotopic Mass: 0.8
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]+	118.005416	116.8
[M+Na]+	139.987358	127.0
[M-H]-	115.990864	119.8
[M+NH4]+	135.031963	139.3
[M+K]+	155.961298	126.1
[M+H-H2O]+	99.995400	111.9
[M+HCOO]-	161.996341	137.0
[M+CH3COO]-	176.011991	164.9
[M+Na-2H]-	137.972806	125.7
[M]+	116.99759142	119.8
[M]-	116.99868858	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe