CID 84926

15453-10-8

Structural Information

Molecular Formula

C₆F₁₀O

SMILES

C(=C(F)F)(C(C(C1(C(O1)(F)F)F)(F)F)(F)F)F

InChI

InChI=1S/C6F10O/c7-1(2(8)9)3(10,11)4(12,13)5(14)6(15,16)17-5

InChIKey

NYAGRQZHLFYEOA-UHFFFAOYSA-N

Compound name

2,2,3-trifluoro-3-(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 277.97894 Da
Monoisotopic Mass: 2.9
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]+	278.98622	130.1
[M+Na]+	300.96816	141.7
[M-H]-	276.97166	124.1
[M+NH4]+	296.01276	143.2
[M+K]+	316.94210	140.6
[M+H-H2O]+	260.97620	119.4
[M+HCOO]-	322.97714	137.7
[M+CH3COO]-	336.99279	200.5
[M+Na-2H]-	298.95361	134.8
[M]+	277.97839	120.0
[M]-	277.97949	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe