CID 162345012

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-trihydroxysilyloctan-1-ol

Structural Information

Molecular Formula
C8H7F13O4Si
SMILES
C(C(O)[Si](O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F13O4Si/c9-3(10,1-2(22)26(23,24)25)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2,22-25H,1H2
InChIKey
AEKAPQDENKBNCX-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-trihydroxysilyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.9906 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.99788 153.6
[M+Na]+ 464.97982 155.9
[M-H]- 440.98332 159.5
[M+NH4]+ 460.02442 156.5
[M+K]+ 480.95376 161.2
[M+H-H2O]+ 424.98786 165.2
[M+HCOO]- 486.98880 167.8
[M+CH3COO]- 501.00445 216.2
[M+Na-2H]- 462.96527 149.8
[M]+ 441.99005 150.0
[M]- 441.99115 150.0
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

No patent data available for this compound.