CID 44152587

Einecs 281-725-1

Structural Information

Molecular Formula
C24H12F34O4
SMILES
CCCCCC(C(C(C(OC(C(OC(C(OC(C(OC(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
InChI
InChI=1S/C24H12F34O4/c1-2-3-4-5-6(25)11(31,32)14(37,38)17(43,44)59-19(47,48)21(51,52)61-23(55,56)24(57,58)62-22(53,54)20(49,50)60-18(45,46)16(41,42)15(39,40)13(35,36)12(33,34)9(28)7(26)8(27)10(29)30/h6H,2-5H2,1H3/b9-7+
InChIKey
HFBWKQAPVODCQP-VQHVLOKHSA-N
Compound name
(3E)-1,1,2,3,4,5,5,6,6,7,7,8,8,9,9-pentadecafluoro-9-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4-heptafluorononoxy)ethoxy]ethoxy]ethoxy]nona-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1010.0193 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1011.0266 256.4
[M+Na]+ 1033.0085 258.7
[M-H]- 1009.0120 270.8
[M+NH4]+ 1028.0531 272.2
[M+K]+ 1048.9825 275.5
[M+H-H2O]+ 993.01656 245.5
[M+HCOO]- 1055.0175 263.0
[M+CH3COO]- 1069.0332 284.6
[M+Na-2H]- 1030.9940 256.7
[M]+ 1010.0188 251.7
[M]- 1010.0198 251.7
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.