CID 75066

2144-53-8

Structural Information

Molecular Formula
C12H9F13O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3
InChIKey
CDXFIRXEAJABAZ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3405
Patents

432.0395 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.04678 182.1
[M+Na]+ 455.02872 181.8
[M+NH4]+ 450.07332 181.0
[M+K]+ 471.00266 180.7
[M-H]- 431.03222 177.3
[M+Na-2H]- 453.01417 179.9
[M]+ 432.03895 180.5
[M]- 432.04005 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe