CID 12886249

Perfluorononanenitrile

Structural Information

Molecular Formula
C9F17N
SMILES
C(#N)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9F17N/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26
InChIKey
QXLCIRIVPLDAGS-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

444.97592 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.98320 163.2
[M+Na]+ 467.96514 163.5
[M+NH4]+ 463.00974 162.9
[M+K]+ 483.93908 163.4
[M-H]- 443.96864 161.5
[M+Na-2H]- 465.95059 163.3
[M]+ 444.97537 162.7
[M]- 444.97647 162.7
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