CID 2775832

355-84-0

Structural Information

Molecular Formula

C₈H₅F₉O₂

SMILES

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

InChI

InChI=1S/C8H5F9O2/c1-3(18)2-4(19)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H2,1H3

InChIKey

NQPVZXRGQCXFLN-UHFFFAOYSA-N

Compound name

5,5,6,6,7,7,8,8,8-nonafluorooctane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 304.0146 Da
Monoisotopic Mass: 2.9
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]+	305.02188	151.8
[M+Na]+	327.00382	160.5
[M-H]-	303.00732	141.5
[M+NH4]+	322.04842	166.1
[M+K]+	342.97776	158.5
[M+H-H2O]+	287.01186	141.2
[M+HCOO]-	349.01280	158.2
[M+CH3COO]-	363.02845	203.9
[M+Na-2H]-	324.98927	154.0
[M]+	304.01405	139.4
[M]-	304.01515	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe