CID 88521

5-chloropentyl acetate

Structural Information

Molecular Formula

C₇H₁₃ClO₂

SMILES

CC(=O)OCCCCCCl

InChI

InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3

InChIKey

ZCYVIAZIVJNAMO-UHFFFAOYSA-N

Compound name

5-chloropentyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 126
Patents: 164.06041 Da
Monoisotopic Mass: 2.2
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]+	165.06769	132.6
[M+Na]+	187.04963	143.6
[M+NH4]+	182.09423	140.6
[M+K]+	203.02357	137.4
[M-H]-	163.05313	131.8
[M+Na-2H]-	185.03508	136.4
[M]+	164.05986	134.0
[M]-	164.06096	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe