CID 520856

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosafluorononane

Structural Information

Molecular Formula
C9F20
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29
InChIKey
UVWPNDVAQBNQBG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosafluorononane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

3012
Patents

487.96805 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.97533 161.7
[M+Na]+ 510.95727 167.6
[M-H]- 486.96077 168.4
[M+NH4]+ 506.00187 170.7
[M+K]+ 526.93121 176.6
[M+H-H2O]+ 470.96531 151.0
[M+HCOO]- 532.96625 182.5
[M+CH3COO]- 546.98190 236.3
[M+Na-2H]- 508.94272 163.1
[M]+ 487.96750 160.3
[M]- 487.96860 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe