CID 2737223

Ethyl 5h-octafluorovalerate

Structural Information

Molecular Formula

C₇H₆F₈O₂

SMILES

CCOC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H6F8O2/c1-2-17-4(16)6(12,13)7(14,15)5(10,11)3(8)9/h3H,2H2,1H3

InChIKey

HXWMNJVBQLBDGW-UHFFFAOYSA-N

Compound name

ethyl 2,2,3,3,4,4,5,5-octafluoropentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 274.02402 Da
Monoisotopic Mass: 3.2
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]+	275.03130	147.3
[M+Na]+	297.01324	155.6
[M-H]-	273.01674	137.8
[M+NH4]+	292.05784	162.9
[M+K]+	312.98718	154.3
[M+H-H2O]+	257.02128	136.9
[M+HCOO]-	319.02222	156.2
[M+CH3COO]-	333.03787	198.5
[M+Na-2H]-	294.99869	149.3
[M]+	274.02347	137.3
[M]-	274.02457	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe