CID 87149

17527-29-6

Structural Information

Molecular Formula
C11H7F13O2
SMILES
C=CC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F13O2/c1-2-5(25)26-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2
InChIKey
VPKQPPJQTZJZDB-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

4134
Patents

418.02383 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.03111 179.3
[M+Na]+ 441.01305 165.6
[M-H]- 417.01655 162.5
[M+NH4]+ 436.05765 166.8
[M+K]+ 456.98699 184.4
[M+H-H2O]+ 401.02109 165.8
[M+HCOO]- 463.02203 177.9
[M+CH3COO]- 477.03768 223.5
[M+Na-2H]- 438.99850 181.0
[M]+ 418.02328 157.2
[M]- 418.02438 157.2
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