CID 76340

2993-85-3

Structural Information

Molecular Formula
C10H6F12O2
SMILES
C=CC(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2
InChIKey
QJEJDNMGOWJONG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1107
Patents

386.0176 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.02488 184.9
[M+Na]+ 409.00682 184.8
[M+NH4]+ 404.05142 183.7
[M+K]+ 424.98076 183.2
[M-H]- 385.01032 179.1
[M+Na-2H]- 406.99227 182.3
[M]+ 386.01705 183.0
[M]- 386.01815 183.0
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