CID 13759163

1,1-difluoro-3-methylene-cyclobutane

Structural Information

Molecular Formula

C₅H₆F₂

SMILES

C=C1CC(C1)(F)F

InChI

InChI=1S/C5H6F2/c1-4-2-5(6,7)3-4/h1-3H2

InChIKey

BAJWEGORVHJWFY-UHFFFAOYSA-N

Compound name

1,1-difluoro-3-methylidenecyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 104.043755 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]+	105.05103	114.1
[M+Na]+	127.03297	122.5
[M-H]-	103.03648	116.0
[M+NH4]+	122.07758	132.9
[M+K]+	143.00691	124.0
[M+H-H2O]+	87.041015	104.9
[M+HCOO]-	149.04196	134.8
[M+CH3COO]-	163.05761	171.3
[M+Na-2H]-	125.01842	121.0
[M]+	104.04321	118.5
[M]-	104.04430	118.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe