CID 12549351

1,2-epoxyperfluorobutane

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4F8O/c5-1(6,3(8,9)10)2(7)4(11,12)13-2

InChIKey

ZEZAFHZIZCXHGO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 215.98215 Da
Monoisotopic Mass: 2.7
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]+	216.989426	121.1
[M+Na]+	238.971368	133.6
[M-H]-	214.974874	117.7
[M+NH4]+	234.015973	137.1
[M+K]+	254.945308	133.7
[M+H-H2O]+	198.979410	112.0
[M+HCOO]-	260.980351	132.9
[M+CH3COO]-	274.996001	188.5
[M+Na-2H]-	236.956816	129.9
[M]+	215.98160142	114.9
[M]-	215.98269858	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe