CID 6601

Chloropentafluoroacetone

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3ClF5O/c4-2(5,6)1(10)3(7,8)9

InChIKey

OJUUDWYPNQALHZ-UHFFFAOYSA-N

Compound name

1-chloro-1,1,3,3,3-pentafluoropropan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 175
Patents: 181.95578 Da
Monoisotopic Mass: 2.4
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]+	182.96306	144.5
[M+Na]+	204.94500	149.8
[M+NH4]+	199.98960	147.7
[M+K]+	220.91894	146.6
[M-H]-	180.94850	136.6
[M+Na-2H]-	202.93045	144.6
[M]+	181.95523	142.8
[M]-	181.95633	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe