CID 15507523

1,1-bis(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula

C₆H₆F₆

SMILES

C1CC(C1)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C6H6F6/c7-5(8,9)4(2-1-3-4)6(10,11)12/h1-3H2

InChIKey

FTEQKPHQBGGWFL-UHFFFAOYSA-N

Compound name

1,1-bis(trifluoromethyl)cyclobutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1336
Patents: 192.03737 Da
Monoisotopic Mass: 3.6
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]+	193.04465	135.5
[M+Na]+	215.02659	143.5
[M-H]-	191.03009	132.2
[M+NH4]+	210.07119	150.5
[M+K]+	231.00053	144.3
[M+H-H2O]+	175.03463	123.2
[M+HCOO]-	237.03557	148.3
[M+CH3COO]-	251.05122	184.8
[M+Na-2H]-	213.01204	140.9
[M]+	192.03682	134.1
[M]-	192.03792	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe