CID 9519

1,7-difluoro-2-heptanone

Structural Information

Molecular Formula

C₇H₁₂F₂O

SMILES

C(CCC(=O)CF)CCF

InChI

InChI=1S/C7H12F2O/c8-5-3-1-2-4-7(10)6-9/h1-6H2

InChIKey

ONBDJQNIAOQQGT-UHFFFAOYSA-N

Compound name

1,7-difluoroheptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.08562 Da
Monoisotopic Mass: 1.7
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]+	151.09290	130.1
[M+Na]+	173.07484	137.0
[M-H]-	149.07834	127.5
[M+NH4]+	168.11944	151.4
[M+K]+	189.04878	136.1
[M+H-H2O]+	133.08288	123.7
[M+HCOO]-	195.08382	150.9
[M+CH3COO]-	209.09947	177.7
[M+Na-2H]-	171.06029	134.4
[M]+	150.08507	129.5
[M]-	150.08617	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.