CID 14512681

4,4,5,5,6,6,7,7,7-nonafluoroheptanenitrile

Structural Information

Molecular Formula
C7H4F9N
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C#N
InChI
InChI=1S/C7H4F9N/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-2H2
InChIKey
NCZCIONFCQOOAM-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoroheptanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

273.02 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02728 141.7
[M+Na]+ 296.00922 150.7
[M-H]- 272.01272 132.3
[M+NH4]+ 291.05382 155.4
[M+K]+ 311.98316 149.7
[M+H-H2O]+ 256.01726 125.1
[M+HCOO]- 318.01820 147.7
[M+CH3COO]- 332.03385 209.2
[M+Na-2H]- 293.99467 145.9
[M]+ 273.01945 124.9
[M]- 273.02055 124.9
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