CID 14117149

105175-03-9

Structural Information

Molecular Formula

C₄H₄ClNO₂

SMILES

C1=C(ON=C1Cl)CO

InChI

InChI=1S/C4H4ClNO2/c5-4-1-3(2-7)8-6-4/h1,7H,2H2

InChIKey

GOYVQDNFGMZJNQ-UHFFFAOYSA-N

Compound name

(3-chloro-1,2-oxazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 132.99306 Da
Monoisotopic Mass: 0.5
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]+	134.000336	119.9
[M+Na]+	155.982278	130.5
[M-H]-	131.985784	121.9
[M+NH4]+	151.026883	141.3
[M+K]+	171.956218	129.0
[M+H-H2O]+	115.990320	115.4
[M+HCOO]-	177.991261	138.8
[M+CH3COO]-	192.006911	165.3
[M+Na-2H]-	153.967726	127.6
[M]+	132.99251142	122.8
[M]-	132.99360858	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe