CID 2778361

Bis(2,2,3,3,4,4,4-heptafluorobutyl) but-2-enedioate

Structural Information

Molecular Formula
C12H6F14O4
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6F14O4/c13-7(14,9(17,18)11(21,22)23)3-29-5(27)1-2-6(28)30-4-8(15,16)10(19,20)12(24,25)26/h1-2H,3-4H2
InChIKey
WVGOKTYQAQEHBO-UHFFFAOYSA-N
Compound name
bis(2,2,3,3,4,4,4-heptafluorobutyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

480.00424 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.01152 176.6
[M+Na]+ 502.99346 176.4
[M+NH4]+ 498.03806 175.6
[M+K]+ 518.96740 175.7
[M-H]- 478.99696 172.8
[M+Na-2H]- 500.97891 175.1
[M]+ 480.00369 175.3
[M]- 480.00479 175.3
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