CID 10920839

4-chlorobutyl acrylate

Structural Information

Molecular Formula

C₇H₁₁ClO₂

SMILES

C=CC(=O)OCCCCCl

InChI

InChI=1S/C7H11ClO2/c1-2-7(9)10-6-4-3-5-8/h2H,1,3-6H2

InChIKey

MSZCRKZKNKSJNU-UHFFFAOYSA-N

Compound name

4-chlorobutyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1245
Patents: 162.04475 Da
Monoisotopic Mass: 2.4
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]+	163.052026	132.1
[M+Na]+	185.033968	140.2
[M-H]-	161.037474	132.3
[M+NH4]+	180.078573	153.9
[M+K]+	201.007908	137.7
[M+H-H2O]+	145.042010	128.6
[M+HCOO]-	207.042951	151.0
[M+CH3COO]-	221.058601	176.4
[M+Na-2H]-	183.019416	137.2
[M]+	162.04420142	136.4
[M]-	162.04529858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe