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
2
Annotation Hits

0
References

166
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 170.1
[M+Na]+ 412.98177 179.4
[M-H]- 388.98527 156.1
[M+NH4]+ 408.02637 159.1
[M+K]+ 428.95571 176.4
[M+H-H2O]+ 372.98981 156.9
[M+HCOO]- 434.99075 170.9
[M+CH3COO]- 449.00640 218.1
[M+Na-2H]- 410.96722 172.8
[M]+ 389.99200 151.2
[M]- 389.99310 151.2
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