CID 69537

647-42-7

Structural Information

Molecular Formula
C8H5F13O
SMILES
C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
InChIKey
GRJRKPMIRMSBNK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

49
References

3826
Patents

364.01328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.020556 167.5
[M+Na]+ 387.002498 176.3
[M-H]- 363.006004 152.2
[M+NH4]+ 382.047103 178.3
[M+K]+ 402.976438 172.9
[M+H-H2O]+ 347.010540 154.4
[M+HCOO]- 409.011481 166.5
[M+CH3COO]- 423.027131 213.2
[M+Na-2H]- 384.987946 170.6
[M]+ 364.01273142 147.0
[M]- 364.01382858 147.0
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