CID 2782578

22325-71-9

Structural Information

Molecular Formula
C5F9N
SMILES
C(#N)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14
InChIKey
FVBKAFXHWXBINM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoropentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

244.98871 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99599 133.6
[M+Na]+ 267.97793 143.2
[M-H]- 243.98143 124.5
[M+NH4]+ 263.02253 148.2
[M+K]+ 283.95187 142.7
[M+H-H2O]+ 227.98597 117.3
[M+HCOO]- 289.98691 140.1
[M+CH3COO]- 304.00256 204.0
[M+Na-2H]- 265.96338 138.6
[M]+ 244.98816 116.0
[M]- 244.98926 116.0
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