CID 91594

3-chloroallyl alcohol

Structural Information

Molecular Formula

SMILES

C(C=CCl)O

InChI

InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2

InChIKey

HJGHXDNIPAWLLE-UHFFFAOYSA-N

Compound name

3-chloroprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 546
Patents: 92.00289 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]+	93.010166	111.9
[M+Na]+	114.99211	123.9
[M+NH4]+	110.03671	120.9
[M+K]+	130.96605	117.7
[M-H]-	90.995614	111.5
[M+Na-2H]-	112.97756	117.0
[M]+	92.002341	113.6
[M]-	92.003439	113.6

Literature stripe

literature stripe

Patent stripe

patents stripe