CID 117482

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene

Structural Information

Molecular Formula
C9H3F15
SMILES
C=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F15/c1-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2H,1H2
InChIKey
RXZWAMINHJDYKW-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

60
Patents

395.9995 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.00678 174.7
[M+Na]+ 418.98872 184.3
[M-H]- 394.99222 159.4
[M+NH4]+ 414.03332 158.9
[M+K]+ 434.96266 180.3
[M+H-H2O]+ 378.99676 160.4
[M+HCOO]- 440.99770 173.8
[M+CH3COO]- 455.01335 221.9
[M+Na-2H]- 416.97417 177.4
[M]+ 395.99895 150.8
[M]- 396.00005 150.8
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