CID 19098704

1228350-17-1

Structural Information

Molecular Formula
C13H11F13O2
SMILES
CC(=C)C(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H11F13O2/c1-6(2)7(27)28-5-3-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1,3-5H2,2H3
InChIKey
AIIUJTLQIOPZBE-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

446.05515 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.06243 167.5
[M+Na]+ 469.04437 175.3
[M-H]- 445.04787 172.9
[M+NH4]+ 464.08897 177.8
[M+K]+ 485.01831 180.5
[M+H-H2O]+ 429.05241 172.5
[M+HCOO]- 491.05335 184.6
[M+CH3COO]- 505.06900 229.5
[M+Na-2H]- 467.02982 166.0
[M]+ 446.05460 166.6
[M]- 446.05570 166.6
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