CID 12695

Hexafluoroacetone

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9

InChIKey

VBZWSGALLODQNC-UHFFFAOYSA-N

Compound name

1,1,1,3,3,3-hexafluoropropan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 94
References: 17438
Patents: 165.98534 Da
Monoisotopic Mass: 1.5
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]+	166.99262	153.0
[M+Na]+	188.97456	156.9
[M+NH4]+	184.01916	155.1
[M+K]+	204.94850	153.8
[M-H]-	164.97806	144.6
[M+Na-2H]-	186.96001	152.0
[M]+	165.98479	150.7
[M]-	165.98589	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe