CID 103864

(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-octacosafluoro-14-(trifluoromethyl)pentadecyl)oxirane

Structural Information

Molecular Formula
C18H5F31O
SMILES
C1C(O1)CC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(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)F
InChI
InChI=1S/C18H5F31O/c19-4(20,1-3-2-50-3)6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)15(40,41)13(36,37)11(32,33)9(28,29)7(24,25)5(21,17(44,45)46)18(47,48)49/h3H,1-2H2
InChIKey
FPGGDOYJDKTVNV-UHFFFAOYSA-N
Compound name
2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-octacosafluoro-14-(trifluoromethyl)pentadecyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

825.98456 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 826.99184 220.0
[M+Na]+ 848.97378 224.0
[M-H]- 824.97728 231.2
[M+NH4]+ 844.01838 232.2
[M+K]+ 864.94772 238.0
[M+H-H2O]+ 808.98182 209.0
[M+HCOO]- 870.98276 238.6
[M+CH3COO]- 884.99841 271.0
[M+Na-2H]- 846.95923 223.2
[M]+ 825.98401 221.5
[M]- 825.98511 221.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.