CID 2778085

Vinyl perfluorononanoate

Structural Information

Molecular Formula
C11H3F17O2
SMILES
C=COC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H3F17O2/c1-2-30-3(29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H,1H2
InChIKey
PQEMXLVPFPSANM-UHFFFAOYSA-N
Compound name
ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

142
Patents

489.98615 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.99343 165.0
[M+Na]+ 512.97537 171.7
[M-H]- 488.97887 173.3
[M+NH4]+ 508.01997 176.1
[M+K]+ 528.94931 179.3
[M+H-H2O]+ 472.98341 155.5
[M+HCOO]- 534.98435 184.9
[M+CH3COO]- 549.00000 235.0
[M+Na-2H]- 510.96082 165.2
[M]+ 489.98560 164.0
[M]- 489.98670 164.0
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