CID 91241

24910-84-7

Structural Information

Molecular Formula

C₆H₈Cl₂O₂

SMILES

C=CC(=O)OCC(CCl)Cl

InChI

InChI=1S/C6H8Cl2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2

InChIKey

VNBVMEJAPNHJSI-UHFFFAOYSA-N

Compound name

2,3-dichloropropyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 181.99013 Da
Monoisotopic Mass: 2.0
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]+	182.99741	132.4
[M+Na]+	204.97935	141.0
[M-H]-	180.98285	132.3
[M+NH4]+	200.02395	153.6
[M+K]+	220.95329	137.5
[M+H-H2O]+	164.98739	130.0
[M+HCOO]-	226.98833	145.7
[M+CH3COO]-	241.00398	179.1
[M+Na-2H]-	202.96480	136.1
[M]+	181.98958	136.5
[M]-	181.99068	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe