CID 138396383

Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate

Structural Information

Molecular Formula
C24H4Cl4F30O4
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H4Cl4F30O4/c25-5-3(9(59)61-1-11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)4(6(26)8(28)7(5)27)10(60)62-2-12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-2H2
InChIKey
MYYIQTVLQVKKEC-UHFFFAOYSA-N
Compound name
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1065.8385 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1066.8458 152.5
[M+Na]+ 1088.8277 152.5
[M+NH4]+ 1083.8723 152.5
[M+K]+ 1104.8017 152.5
[M-H]- 1064.8312 152.5
[M+Na-2H]- 1086.8132 152.5
[M]+ 1065.8380 152.5
[M]- 1065.8390 152.5
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.