CID 2735869

Allyl perfluoroheptanoate

Structural Information

Molecular Formula
C10H5F13O2
SMILES
C=CCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F13O2/c1-2-3-25-4(24)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3H2
InChIKey
DASVACNPTZCVQR-UHFFFAOYSA-N
Compound name
prop-2-enyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

404.0082 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.01548 180.8
[M+Na]+ 426.99742 180.6
[M+NH4]+ 422.04202 179.7
[M+K]+ 442.97136 179.4
[M-H]- 403.00092 176.1
[M+Na-2H]- 424.98287 178.8
[M]+ 404.00765 179.2
[M]- 404.00875 179.2
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