CID 14671039

3,3,4,4,5,5,5-heptafluoropentyl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C9H9F7O2
SMILES
CC(=C)C(=O)OCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H9F7O2/c1-5(2)6(17)18-4-3-7(10,11)8(12,13)9(14,15)16/h1,3-4H2,2H3
InChIKey
VZOWCSFBTSNJKX-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropentyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

282.04907 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05635 152.0
[M+Na]+ 305.03829 159.9
[M-H]- 281.04179 143.6
[M+NH4]+ 300.08289 167.6
[M+K]+ 321.01223 158.0
[M+H-H2O]+ 265.04633 142.5
[M+HCOO]- 327.04727 161.7
[M+CH3COO]- 341.06292 199.7
[M+Na-2H]- 303.02374 153.7
[M]+ 282.04852 143.5
[M]- 282.04962 143.5
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