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

No literature data available for this compound.

Patent stripe

patents stripe