CID 22664508

96250-52-1

Structural Information

Molecular Formula
C13H6F18O2
SMILES
C=C(C(=O)OCCC(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
InChI
InChI=1S/C13H6F18O2/c1-4(14)5(32)33-3-2-6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)31/h1-3H2
InChIKey
MYWZAYNXSFHVGM-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-fluoroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

536.00806 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.01534 176.2
[M+Na]+ 558.99728 182.8
[M-H]- 535.00078 185.0
[M+NH4]+ 554.04188 188.4
[M+K]+ 574.97122 191.8
[M+H-H2O]+ 519.00532 167.0
[M+HCOO]- 581.00626 193.0
[M+CH3COO]- 595.02191 242.8
[M+Na-2H]- 556.98273 175.9
[M]+ 536.00751 174.2
[M]- 536.00861 174.2
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