CID 104247

1h,1h,2h,2h-nonafluorohexyl acrylate

Structural Information

Molecular Formula
C9H7F9O2
SMILES
C=CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2
InChIKey
GYUPEJSTJSFVRR-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2257
Patents

318.03024 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03752 158.4
[M+Na]+ 341.01946 166.9
[M-H]- 317.02296 147.8
[M+NH4]+ 336.06406 172.2
[M+K]+ 356.99340 164.2
[M+H-H2O]+ 301.02750 147.4
[M+HCOO]- 363.02844 165.3
[M+CH3COO]- 377.04409 205.4
[M+Na-2H]- 339.00491 161.0
[M]+ 318.02969 146.9
[M]- 318.03079 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe