CID 2774881

356-06-9

Structural Information

Molecular Formula

C₆H₅F₇O₂

SMILES

CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6H5F7O2/c1-3(14)15-2-4(7,8)5(9,10)6(11,12)13/h2H2,1H3

InChIKey

JJRRHZPKVSFERJ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,4-heptafluorobutyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 430
Patents: 242.01778 Da
Monoisotopic Mass: 2.6
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]+	243.02506	140.6
[M+Na]+	265.00700	149.6
[M-H]-	241.01050	132.5
[M+NH4]+	260.05160	157.8
[M+K]+	280.98094	148.5
[M+H-H2O]+	225.01504	131.3
[M+HCOO]-	287.01598	151.9
[M+CH3COO]-	301.03163	191.1
[M+Na-2H]-	262.99245	144.8
[M]+	242.01723	132.3
[M]-	242.01833	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe