CID 2778082

Vinyl perfluoroheptanoate

Structural Information

Molecular Formula
C9H3F13O2
SMILES
C=COC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H,1H2
InChIKey
ADYNCUBVNWLXQE-UHFFFAOYSA-N
Compound name
ethenyl 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

156
Patents

389.99255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.99983 180.1
[M+Na]+ 412.98177 180.0
[M+NH4]+ 408.02637 179.1
[M+K]+ 428.95571 178.8
[M-H]- 388.98527 175.4
[M+Na-2H]- 410.96722 178.1
[M]+ 389.99200 178.5
[M]- 389.99310 178.5
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