CID 87274

17741-60-5

Structural Information

Molecular Formula
C15H7F21O2
SMILES
C=CC(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H7F21O2/c1-2-5(37)38-4-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2H,1,3-4H2
InChIKey
FIAHOPQKBBASOY-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

1652
Patents

618.01105 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.01833 188.0
[M+Na]+ 641.00027 193.0
[M-H]- 617.00377 198.0
[M+NH4]+ 636.04487 200.5
[M+K]+ 656.97421 204.7
[M+H-H2O]+ 601.00831 176.2
[M+HCOO]- 663.00925 206.0
[M+CH3COO]- 677.02490 253.8
[M+Na-2H]- 638.98572 187.7
[M]+ 618.01050 186.6
[M]- 618.01160 186.6
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