CID 80076

2-chloro-2-propen-1-ol

Structural Information

Molecular Formula

SMILES

C=C(CO)Cl

InChI

InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2

InChIKey

OSCXYTRISGREIM-UHFFFAOYSA-N

Compound name

2-chloroprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 598
Patents: 92.00289 Da
Monoisotopic Mass: 0.6
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]+	93.010166	112.3
[M+Na]+	114.99211	124.0
[M+NH4]+	110.03671	121.2
[M+K]+	130.96605	118.5
[M-H]-	90.995614	111.7
[M+Na-2H]-	112.97756	117.0
[M]+	92.002341	113.9
[M]-	92.003439	113.9

Literature stripe

literature stripe

Patent stripe

patents stripe