CID 527536

1h-perfluorononane

Structural Information

Molecular Formula
C9HF19
SMILES
C(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)(F)F
InChI
InChI=1S/C9HF19/c10-1(11)2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)28/h1H
InChIKey
CUNIPPSHVAZKID-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

687
Patents

469.97748 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.984756 161.2
[M+Na]+ 492.966698 167.7
[M-H]- 468.970204 167.3
[M+NH4]+ 488.011303 170.4
[M+K]+ 508.940638 176.0
[M+H-H2O]+ 452.974740 174.3
[M+HCOO]- 514.975681 179.8
[M+CH3COO]- 528.991331 234.4
[M+Na-2H]- 490.952146 162.3
[M]+ 469.97693142 159.0
[M]- 469.97802858 159.0
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