Perfluoroalkyl oxirane (C16H5F27O)

Structural Information

Molecular Formula

SMILES

C1C(O1)CC(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H5F27O/c17-4(18,1-3-2-44-3)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)15(39,40)16(41,42)43/h3H,1-2H2

InChIKey

BSLMSLKKXMOHIG-UHFFFAOYSA-N

Compound name

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecyl)oxirane

Related CIDs

2D Structure

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]+	726.998176	205.0
[M+Na]+	748.980118	210.2
[M-H]-	724.983624	215.2
[M+NH4]+	744.024723	217.2
[M+K]+	764.954058	223.0
[M+H-H2O]+	708.988160	194.4
[M+HCOO]-	770.989101	225.8
[M+CH3COO]-	785.004751	264.8
[M+Na-2H]-	746.965566	207.5
[M]+	725.99035142	208.0
[M]-	725.99144858	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

726.998176

205.0

[M+Na]+

748.980118

210.2

[M-H]-

724.983624

215.2

[M+NH4]+

744.024723

217.2

[M+K]+

764.954058

223.0

[M+H-H2O]+

708.988160

194.4

[M+HCOO]-

770.989101

225.8

[M+CH3COO]-

785.004751

264.8

[M+Na-2H]-

746.965566

207.5

[M]+

725.99035142

208.0

[M]-

725.99144858

208.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Perfluoroalkyl oxirane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe