CID 88290918

Ethenyl nonadecafluorodecanoate

Structural Information

Molecular Formula
C12H3F19O2
SMILES
C=COC(=O)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
InChI
InChI=1S/C12H3F19O2/c1-2-33-3(32)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)31/h2H,1H2
InChIKey
PGADVLUJBVHESU-UHFFFAOYSA-N
Compound name
ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

539.983 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.99028 172.9
[M+Na]+ 562.97222 178.9
[M-H]- 538.97572 182.4
[M+NH4]+ 558.01682 184.8
[M+K]+ 578.94616 188.4
[M+H-H2O]+ 522.98026 162.3
[M+HCOO]- 584.98120 192.2
[M+CH3COO]- 598.99685 242.6
[M+Na-2H]- 560.95767 173.3
[M]+ 539.98245 171.8
[M]- 539.98355 171.8
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