CID 9779

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol

Structural Information

Molecular Formula
C9H4F16O
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)O
InChI
InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2
InChIKey
MSXVQELLSMPBFD-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

615
Patents

432.00067 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.00795 180.7
[M+Na]+ 454.98989 161.2
[M-H]- 430.99339 160.0
[M+NH4]+ 450.03449 162.3
[M+K]+ 470.96383 185.8
[M+H-H2O]+ 414.99793 166.0
[M+HCOO]- 476.99887 172.9
[M+CH3COO]- 491.01452 226.1
[M+Na-2H]- 452.97534 181.8
[M]+ 432.00012 153.1
[M]- 432.00122 153.1
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