CID 17763149

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononane-1,1-diol

Structural Information

Molecular Formula
C9H3F17O2
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)(O)O
InChI
InChI=1S/C9H3F17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h1,27-28H
InChIKey
OEUDULXFLZPWCL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

465.98615 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.99343 157.4
[M+Na]+ 488.97537 161.7
[M-H]- 464.97887 164.3
[M+NH4]+ 484.01997 164.2
[M+K]+ 504.94931 169.5
[M+H-H2O]+ 448.98341 146.1
[M+HCOO]- 510.98435 174.1
[M+CH3COO]- 525.00000 228.2
[M+Na-2H]- 486.96082 156.6
[M]+ 465.98560 154.7
[M]- 465.98670 154.7
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