CID 56587789

74942-19-1

Structural Information

Molecular Formula

C₅F₁₀O

SMILES

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

InChI

InChI=1S/C5F10O/c6-1(7,2(8,9)4(11,12)13)3(10)5(14,15)16-3

InChIKey

HZTIKNWLZSIYHM-UHFFFAOYSA-N

Compound name

2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 265.97894 Da
Monoisotopic Mass: 3.4
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]+	266.98622	128.7
[M+Na]+	288.96816	141.1
[M-H]-	264.97166	123.1
[M+NH4]+	284.01276	142.5
[M+K]+	304.94210	140.6
[M+H-H2O]+	248.97620	118.4
[M+HCOO]-	310.97714	136.7
[M+CH3COO]-	324.99279	197.7
[M+Na-2H]-	286.95361	136.9
[M]+	265.97839	119.5
[M]-	265.97949	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe