CID 2737117

3107-98-0

Structural Information

Molecular Formula
C8H6F8O4
SMILES
COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F8O4/c1-19-3(17)5(9,10)7(13,14)8(15,16)6(11,12)4(18)20-2/h1-2H3
InChIKey
XPXVIIILXUOEQA-UHFFFAOYSA-N
Compound name
dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

318.01382 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.02110 154.3
[M+Na]+ 341.00304 162.8
[M-H]- 317.00654 145.1
[M+NH4]+ 336.04764 168.1
[M+K]+ 356.97698 162.3
[M+H-H2O]+ 301.01108 144.3
[M+HCOO]- 363.01202 162.2
[M+CH3COO]- 377.02767 204.2
[M+Na-2H]- 338.98849 157.7
[M]+ 318.01327 146.1
[M]- 318.01437 146.1
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