CID 77532

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl methacrylate

Structural Information

Molecular Formula
C12H7F15O2
SMILES
CC(=C)C(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F15O2/c1-4(2)5(28)29-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1,3H2,2H3
InChIKey
RUEKTOVLVIXOHT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1275
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 167.3
[M+Na]+ 491.00988 174.8
[M-H]- 467.01338 174.9
[M+NH4]+ 486.05448 178.7
[M+K]+ 506.98382 181.4
[M+H-H2O]+ 451.01792 159.3
[M+HCOO]- 513.01886 184.9
[M+CH3COO]- 527.03451 232.6
[M+Na-2H]- 488.99533 166.8
[M]+ 468.02011 166.3
[M]- 468.02121 166.3
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