CID 2737120

4590-24-3

Structural Information

Molecular Formula
C12H6F16O4
SMILES
COC(=O)C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6F16O4/c1-31-3(29)5(13,14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)4(30)32-2/h1-2H3
InChIKey
VZHNQOSVLFDCLH-UHFFFAOYSA-N
Compound name
dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

518.00104 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.00832 172.1
[M+Na]+ 540.99026 178.3
[M-H]- 516.99376 182.8
[M+NH4]+ 536.03486 185.8
[M+K]+ 556.96420 186.4
[M+H-H2O]+ 500.99830 163.1
[M+HCOO]- 562.99924 189.9
[M+CH3COO]- 577.01489 238.9
[M+Na-2H]- 538.97571 171.5
[M]+ 518.00049 172.2
[M]- 518.00159 172.2
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

patents stripe