CID 2736492

2375-76-0

Structural Information

Molecular Formula

C₅H₅ClF₂O₂

SMILES

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

InChI

InChI=1S/C5H5ClF2O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3

InChIKey

ZPBKLXPYUKILDE-UHFFFAOYSA-N

Compound name

1-chloro-1,1-difluoropentane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 169.99461 Da
Monoisotopic Mass: 1.2
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]+	171.00189	125.5
[M+Na]+	192.98383	134.6
[M-H]-	168.98733	123.7
[M+NH4]+	188.02843	146.7
[M+K]+	208.95777	132.6
[M+H-H2O]+	152.99187	121.1
[M+HCOO]-	214.99281	140.5
[M+CH3COO]-	229.00846	177.6
[M+Na-2H]-	190.96928	130.1
[M]+	169.99406	125.6
[M]-	169.99516	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe