CID 12886249

82416-71-5

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
2
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 173.7
[M+Na]+ 467.96514 181.8
[M-H]- 443.96864 158.5
[M+NH4]+ 463.00974 175.8
[M+K]+ 483.93908 181.2
[M+H-H2O]+ 427.97318 153.7
[M+HCOO]- 489.97412 187.1
[M+CH3COO]- 503.98977 236.2
[M+Na-2H]- 465.95059 176.1
[M]+ 444.97537 144.7
[M]- 444.97647 144.7
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