CID 98460784

56300-32-4

Structural Information

Molecular Formula
C9H8F9NO
SMILES
C(COCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C#N
InChI
InChI=1S/C9H8F9NO/c10-6(11,2-5-20-4-1-3-19)7(12,13)8(14,15)9(16,17)18/h1-2,4-5H2
InChIKey
GJIJUEIVZGKPPA-UHFFFAOYSA-N
Compound name
3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.0462 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05348 152.0
[M+Na]+ 340.03542 160.2
[M-H]- 316.03892 142.2
[M+NH4]+ 335.08002 164.2
[M+K]+ 356.00936 159.2
[M+H-H2O]+ 300.04346 134.9
[M+HCOO]- 362.04440 157.7
[M+CH3COO]- 376.06005 216.0
[M+Na-2H]- 338.02087 155.5
[M]+ 317.04565 137.1
[M]- 317.04675 137.1
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.