CID 56776444

17559-01-2

Structural Information

Molecular Formula
C12H5F17O4
SMILES
C=CC(=O)OCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C12H5F17O4/c1-2-4(30)31-3-5(13,8(17,18)19)32-12(28,29)7(16,10(23,24)25)33-11(26,27)6(14,15)9(20,21)22/h2H,1,3H2
InChIKey
DQIUCVXYBXGOCT-UHFFFAOYSA-N
Compound name
[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

535.99164 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.998916 171.0
[M+Na]+ 558.980858 176.8
[M-H]- 534.984364 180.3
[M+NH4]+ 554.025463 183.4
[M+K]+ 574.954798 184.6
[M+H-H2O]+ 518.988900 161.7
[M+HCOO]- 580.989841 190.8
[M+CH3COO]- 595.005491 239.6
[M+Na-2H]- 556.966306 170.3
[M]+ 535.99109142 170.1
[M]- 535.99218858 170.1
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