CID 92944

Perfluoro-1,2-dimethylcyclobutane

Structural Information

Molecular Formula

C₆F₁₂

SMILES

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

InChI

InChI=1S/C6F12/c7-1(5(13,14)15)2(8,6(16,17)18)4(11,12)3(1,9)10

InChIKey

RBTROQHBNLSUTL-UHFFFAOYSA-N

Compound name

1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2206
Patents: 299.98083 Da
Monoisotopic Mass: 4.0
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]+	300.98811	182.8
[M+Na]+	322.97005	182.9
[M+NH4]+	318.01465	182.6
[M+K]+	338.94399	179.6
[M-H]-	298.97355	177.7
[M+Na-2H]-	320.95550	181.3
[M]+	299.98028	181.1
[M]-	299.98138	181.1

Literature stripe

literature stripe

Patent stripe

patents stripe