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]+ 1011.026576 256.4
[M+Na]+ 1033.008518 258.7
[M-H]- 1009.012024 270.8
[M+NH4]+ 1028.053123 272.2
[M+K]+ 1048.982458 275.5
[M+H-H2O]+ 993.016560 245.5
[M+HCOO]- 1055.017501 263.0
[M+CH3COO]- 1069.033151 284.6
[M+Na-2H]- 1030.993966 256.7
[M]+ 1010.01875142 251.7
[M]- 1010.01984858 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.