CID 21293389

Ns00111523

Structural Information

Molecular Formula
C10H15F7O2
SMILES
CC(C)(C)C(CC(C(C(C(F)(F)F)(F)F)(F)F)O)O
InChI
InChI=1S/C10H15F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h5-6,18-19H,4H2,1-3H3
InChIKey
CEUYTDVKBAPCPW-UHFFFAOYSA-N
Compound name
6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

300.09604 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10332 158.6
[M+Na]+ 323.08526 164.9
[M-H]- 299.08876 147.5
[M+NH4]+ 318.12986 172.2
[M+K]+ 339.05920 162.9
[M+H-H2O]+ 283.09330 149.9
[M+HCOO]- 345.09424 163.1
[M+CH3COO]- 359.10989 200.1
[M+Na-2H]- 321.07071 160.0
[M]+ 300.09549 147.3
[M]- 300.09659 147.3
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