CID 52991911

451456-30-7

Structural Information

Molecular Formula
C13H11F13O2
SMILES
C=CC(=O)OCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H11F13O2/c1-2-7(27)28-6-4-3-5-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2H,1,3-6H2
InChIKey
UOJGGAYAADUVAH-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

446.05515 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.06243 165.6
[M+Na]+ 469.04437 172.9
[M-H]- 445.04787 169.5
[M+NH4]+ 464.08897 174.4
[M+K]+ 485.01831 177.7
[M+H-H2O]+ 429.05241 174.5
[M+HCOO]- 491.05335 184.9
[M+CH3COO]- 505.06900 228.9
[M+Na-2H]- 467.02982 163.6
[M]+ 446.05460 164.6
[M]- 446.05570 164.6
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