CID 9753

1,4-difluorobutane

Structural Information

Molecular Formula

C₄H₈F₂

SMILES

C(CCF)CF

InChI

InChI=1S/C4H8F2/c5-3-1-2-4-6/h1-4H2

InChIKey

CXHPKSYTQFAXIN-UHFFFAOYSA-N

Compound name

1,4-difluorobutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1021
Patents: 94.05941 Da
Monoisotopic Mass: 1.6
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	113.8
[M+Na]+	117.04863	121.9
[M-H]-	93.052134	111.7
[M+NH4]+	112.09323	137.4
[M+K]+	133.02257	121.6
[M+H-H2O]+	77.056670	108.2
[M+HCOO]-	139.05761	136.2
[M+CH3COO]-	153.07326	166.9
[M+Na-2H]-	115.03408	121.1
[M]+	94.058861	111.9
[M]-	94.059959	111.9

Literature stripe

literature stripe

Patent stripe

patents stripe