CID 2776220

50836-65-2

Structural Information

Molecular Formula
C12H7F15O2
SMILES
C=CC(=O)OCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F15O2/c1-2-5(28)29-4-3-6(13,14)8(16,17)10(20,21)9(18,19)7(15,11(22,23)24)12(25,26)27/h2H,1,3-4H2
InChIKey
UZNPGWWLKHTVQQ-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

113
Patents

468.02066 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.02794 171.1
[M+Na]+ 491.00988 171.1
[M+NH4]+ 486.05448 170.5
[M+K]+ 506.98382 170.7
[M-H]- 467.01338 168.3
[M+Na-2H]- 488.99533 170.3
[M]+ 468.02011 170.2
[M]- 468.02121 170.2
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