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]+ 826.991836 220.0
[M+Na]+ 848.973778 224.0
[M-H]- 824.977284 231.2
[M+NH4]+ 844.018383 232.2
[M+K]+ 864.947718 238.0
[M+H-H2O]+ 808.981820 209.0
[M+HCOO]- 870.982761 238.6
[M+CH3COO]- 884.998411 271.0
[M+Na-2H]- 846.959226 223.2
[M]+ 825.98401142 221.5
[M]- 825.98510858 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.