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: 181
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	121.5
[M+Na]+	204.94500	131.9
[M-H]-	180.94850	116.2
[M+NH4]+	199.98960	142.1
[M+K]+	220.91894	129.3
[M+H-H2O]+	164.95304	115.0
[M+HCOO]-	226.95398	132.9
[M+CH3COO]-	240.96963	178.2
[M+Na-2H]-	202.93045	127.3
[M]+	181.95523	116.1
[M]-	181.95633	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe