CID 5743511

Einecs 258-920-5

Structural Information

Molecular Formula
C20H5F35O
SMILES
C1C(O1)CC(C(C(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)(F)F)(F)F
InChI
InChI=1S/C20H5F35O/c21-4(22,1-3-2-56-3)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)16(44,45)18(48,49)17(46,47)15(42,43)13(38,39)11(34,35)9(30,31)7(26,27)5(23,19(50,51)52)20(53,54)55/h3H,1-2H2
InChIKey
OKXFOOHGEWKLIY-UHFFFAOYSA-N
Compound name
2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

925.97815 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 926.98543 234.9
[M+Na]+ 948.96737 237.9
[M-H]- 924.97087 246.5
[M+NH4]+ 944.01197 246.7
[M+K]+ 964.94131 252.3
[M+H-H2O]+ 908.97541 224.2
[M+HCOO]- 970.97635 251.2
[M+CH3COO]- 984.99200 274.8
[M+Na-2H]- 946.95282 238.6
[M]+ 925.97760 234.5
[M]- 925.97870 234.5
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.