CID 67825

Diethyl perfluoroadipate

Structural Information

Molecular Formula
C10H10F8O4
SMILES
CCOC(=O)C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H10F8O4/c1-3-21-5(19)7(11,12)9(15,16)10(17,18)8(13,14)6(20)22-4-2/h3-4H2,1-2H3
InChIKey
UBMQHNSEGKYMTP-UHFFFAOYSA-N
Compound name
diethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

346.04514 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05242 191.5
[M+Na]+ 369.03436 191.7
[M+NH4]+ 364.07896 190.1
[M+K]+ 385.00830 189.8
[M-H]- 345.03786 181.5
[M+Na-2H]- 367.01981 187.1
[M]+ 346.04459 188.2
[M]- 346.04569 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe