CID 71340761

2,2,3,3,4,4,4-heptafluorobutyl 2-cyanoprop-2-enoate

Structural Information

Molecular Formula
C8H4F7NO2
SMILES
C=C(C#N)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F7NO2/c1-4(2-16)5(17)18-3-6(9,10)7(11,12)8(13,14)15/h1,3H2
InChIKey
RRVJDNIZJSRAIP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

279.01303 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.02031 144.9
[M+Na]+ 302.00225 153.5
[M-H]- 278.00575 137.4
[M+NH4]+ 297.04685 158.5
[M+K]+ 317.97619 152.9
[M+H-H2O]+ 262.01029 129.2
[M+HCOO]- 324.01123 152.9
[M+CH3COO]- 338.02688 208.3
[M+Na-2H]- 299.98770 147.1
[M]+ 279.01248 131.6
[M]- 279.01358 131.6
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

No patent data available for this compound.