CID 15376158

4-[(chlorocarbonyl)oxy]butyl 2-propenoate

Structural Information

Molecular Formula

C₈H₁₁ClO₄

SMILES

C=CC(=O)OCCCCOC(=O)Cl

InChI

InChI=1S/C8H11ClO4/c1-2-7(10)12-5-3-4-6-13-8(9)11/h2H,1,3-6H2

InChIKey

HSFWJUIIFWCPBM-UHFFFAOYSA-N

Compound name

4-carbonochloridoyloxybutyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 206.03459 Da
Monoisotopic Mass: 2.8
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]+	207.04187	140.4
[M+Na]+	229.02381	148.2
[M-H]-	205.02731	140.6
[M+NH4]+	224.06841	160.3
[M+K]+	244.99775	146.2
[M+H-H2O]+	189.03185	136.5
[M+HCOO]-	251.03279	158.8
[M+CH3COO]-	265.04844	182.6
[M+Na-2H]-	227.00926	143.9
[M]+	206.03404	146.7
[M]-	206.03514	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe