CID 2782575

261503-40-6

Structural Information

Molecular Formula

C₈H₂F₁₂O₂

SMILES

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

InChI

InChI=1S/C8H2F12O2/c9-4(10,2(21)1-3(22)5(11,12)13)6(14,15)7(16,17)8(18,19)20/h1H2

InChIKey

WNIYZRDLOGYCIO-UHFFFAOYSA-N

Compound name

1,1,1,5,5,6,6,7,7,8,8,8-dodecafluorooctane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 357.98633 Da
Monoisotopic Mass: 4.0
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]+	358.993606	161.0
[M+Na]+	380.975548	170.2
[M-H]-	356.979054	147.8
[M+NH4]+	376.020153	155.4
[M+K]+	396.949488	167.7
[M+H-H2O]+	340.983590	148.4
[M+HCOO]-	402.984531	164.8
[M+CH3COO]-	417.000181	212.6
[M+Na-2H]-	378.960996	162.6
[M]+	357.98578142	143.4
[M]-	357.98687858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe