CID 12094574

(perfluorohexyl)trifluorooxirane

Structural Information

Molecular Formula

C₈F₁₆O

SMILES

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

InChI

InChI=1S/C8F16O/c9-1(10,3(13,14)5(17,18)7(20,21)22)2(11,12)4(15,16)6(19)8(23,24)25-6

InChIKey

LGAZGMJSVLHBEF-UHFFFAOYSA-N

Compound name

2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxirane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 23
Patents: 415.96936 Da
Monoisotopic Mass: 5.4
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]+	416.976636	155.2
[M+Na]+	438.958578	166.7
[M-H]-	414.962084	143.9
[M+NH4]+	434.003183	162.5
[M+K]+	454.932518	165.0
[M+H-H2O]+	398.966620	141.5
[M+HCOO]-	460.967561	152.4
[M+CH3COO]-	474.983211	224.2
[M+Na-2H]-	436.944026	161.8
[M]+	415.96881142	136.3
[M]-	415.96990858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe