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

26
Patents

535.99164 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.99892 171.0
[M+Na]+ 558.98086 176.8
[M-H]- 534.98436 180.3
[M+NH4]+ 554.02546 183.4
[M+K]+ 574.95480 184.6
[M+H-H2O]+ 518.98890 161.7
[M+HCOO]- 580.98984 190.8
[M+CH3COO]- 595.00549 239.6
[M+Na-2H]- 556.96631 170.3
[M]+ 535.99109 170.1
[M]- 535.99219 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