CID 20382963

Ethyl 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanoate

Structural Information

Molecular Formula
C9H7F9O2
SMILES
CCOC(=O)C(=C)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F9O2/c1-3-20-5(19)4(2)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-3H2,1H3
InChIKey
FGOVBOZQOFWGCX-UHFFFAOYSA-N
Compound name
ethyl 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

524
Patents

318.03024 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03752 156.7
[M+Na]+ 341.01946 165.1
[M-H]- 317.02296 146.3
[M+NH4]+ 336.06406 170.5
[M+K]+ 356.99340 162.9
[M+H-H2O]+ 301.02750 146.0
[M+HCOO]- 363.02844 162.8
[M+CH3COO]- 377.04409 206.1
[M+Na-2H]- 339.00491 158.4
[M]+ 318.02969 144.6
[M]- 318.03079 144.6
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