CID 168826

28677-00-1

Structural Information

Molecular Formula

C₆F₁₂

SMILES

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

InChI

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

InChIKey

TXGPGHBYAPBDAG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2258
Patents: 299.98083 Da
Monoisotopic Mass: 4.4
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	154.3
[M+Na]+	322.97005	167.7
[M-H]-	298.97355	146.5
[M+NH4]+	318.01465	170.7
[M+K]+	338.94399	166.4
[M+H-H2O]+	282.97809	142.5
[M+HCOO]-	344.97903	160.9
[M+CH3COO]-	358.99468	205.3
[M+Na-2H]-	320.95550	157.8
[M]+	299.98028	146.8
[M]-	299.98138	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe