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

141
Patents

389.99255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.999826 170.1
[M+Na]+ 412.981768 179.4
[M-H]- 388.985274 156.1
[M+NH4]+ 408.026373 159.1
[M+K]+ 428.955708 176.4
[M+H-H2O]+ 372.989810 156.9
[M+HCOO]- 434.990751 170.9
[M+CH3COO]- 449.006401 218.1
[M+Na-2H]- 410.967216 172.8
[M]+ 389.99200142 151.2
[M]- 389.99309858 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