CID 56842498

40002-62-8

Structural Information

Molecular Formula

C₉H₉F₇O₂

SMILES

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

InChI

InChI=1S/C9H9F7O2/c1-4(2)5(17)3-6(18)7(10,11)8(12,13)9(14,15)16/h4H,3H2,1-2H3

InChIKey

SRYIDYXKUUXFNI-UHFFFAOYSA-N

Compound name

6,6,7,7,8,8,8-heptafluoro-2-methyloctane-3,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 282.04907 Da
Monoisotopic Mass: 3.3
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]+	283.05635	150.4
[M+Na]+	305.03829	158.0
[M-H]-	281.04179	142.1
[M+NH4]+	300.08289	165.8
[M+K]+	321.01223	156.6
[M+H-H2O]+	265.04633	141.0
[M+HCOO]-	327.04727	159.2
[M+CH3COO]-	341.06292	201.2
[M+Na-2H]-	303.02374	151.1
[M]+	282.04852	141.4
[M]-	282.04962	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe