CID 165362414

Dtxsid901347256

Structural Information

Molecular Formula
C8H3F13O2
SMILES
C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H3F13O2/c9-3(10,2(23)1-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2,23H
InChIKey
JODCVAUVMXNJNF-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-hydroxyoctanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.99255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.99983 166.8
[M+Na]+ 400.98177 175.6
[M-H]- 376.98527 151.6
[M+NH4]+ 396.02637 153.1
[M+K]+ 416.95571 172.7
[M+H-H2O]+ 360.98981 153.9
[M+HCOO]- 422.99075 165.4
[M+CH3COO]- 437.00640 214.6
[M+Na-2H]- 398.96722 169.5
[M]+ 377.99200 146.4
[M]- 377.99310 146.4
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.