CID 14914909

Schembl6435577

Structural Information

Molecular Formula
C8H5F13O2
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)O
InChI
InChI=1S/C8H5F13O2/c9-3(10,2(23)1-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2,22-23H,1H2
InChIKey
OCFQEBCFMDZJGI-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

380.0082 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.01548 168.0
[M+Na]+ 402.99742 176.2
[M-H]- 379.00092 151.5
[M+NH4]+ 398.04202 151.7
[M+K]+ 418.97136 173.0
[M+H-H2O]+ 363.00546 155.3
[M+HCOO]- 425.00640 164.2
[M+CH3COO]- 439.02205 213.3
[M+Na-2H]- 400.98287 170.2
[M]+ 380.00765 146.5
[M]- 380.00875 146.5
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