CID 520729

2,2-difluorobutane

Structural Information

Molecular Formula

C₄H₈F₂

SMILES

CCC(C)(F)F

InChI

InChI=1S/C4H8F2/c1-3-4(2,5)6/h3H2,1-2H3

InChIKey

IIADOUMJKYSCPM-UHFFFAOYSA-N

Compound name

2,2-difluorobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2035
Patents: 94.05941 Da
Monoisotopic Mass: 2.2
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]+	95.066686	113.7
[M+Na]+	117.04863	122.3
[M-H]-	93.052134	112.0
[M+NH4]+	112.09323	137.5
[M+K]+	133.02257	122.4
[M+H-H2O]+	77.056670	108.8
[M+HCOO]-	139.05761	134.5
[M+CH3COO]-	153.07326	167.2
[M+Na-2H]-	115.03408	121.5
[M]+	94.058861	111.3
[M]-	94.059959	111.3

Literature stripe

literature stripe

Patent stripe

patents stripe