CID 2778361

24120-17-0

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
3
Annotation Hits

0
References

9
Patents

480.00424 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.011516 166.5
[M+Na]+ 502.993458 174.1
[M-H]- 478.996964 174.2
[M+NH4]+ 498.038063 178.5
[M+K]+ 518.967398 178.6
[M+H-H2O]+ 463.001500 160.2
[M+HCOO]- 525.002441 184.7
[M+CH3COO]- 539.018091 230.2
[M+Na-2H]- 500.978906 165.4
[M]+ 480.00369142 164.6
[M]- 480.00478858 164.6
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