CID 138396471

Dtxsid80896605

Structural Information

Molecular Formula
C25H7F41O2
SMILES
CC(=C)C(=O)OCC(C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C25H7F41O2/c1-4(2)5(67)68-3-6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)17(48,49)18(50,51)19(52,53)20(54,55)21(56,57)22(58,59)23(60,61)24(62,63)25(64,65)66/h1,3H2,2H3
InChIKey
QWUFNQYGXMUGOZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-hentetracontafluorohenicosyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1117.9791 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1118.986376 270.8
[M+Na]+ 1140.968318 271.9
[M-H]- 1116.971824 284.6
[M+NH4]+ 1136.012923 282.5
[M+K]+ 1156.942258 286.7
[M+H-H2O]+ 1100.976360 259.9
[M+HCOO]- 1162.977301 280.0
[M+CH3COO]- 1176.992951 278.5
[M+Na-2H]- 1138.953766 273.6
[M]+ 1117.97855142 264.1
[M]- 1117.97964858 264.1
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.