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]+ 1118.9864 270.8
[M+Na]+ 1140.9683 271.9
[M-H]- 1116.9718 284.6
[M+NH4]+ 1136.0129 282.5
[M+K]+ 1156.9423 286.7
[M+H-H2O]+ 1100.9764 259.9
[M+HCOO]- 1162.9773 280.0
[M+CH3COO]- 1176.9930 278.5
[M+Na-2H]- 1138.9538 273.6
[M]+ 1117.9786 264.1
[M]- 1117.9796 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.