CID 117636354

6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexan-1-ol

Structural Information

Molecular Formula
C10H15F7O2
SMILES
C(CCCOCC(C(C(F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C10H15F7O2/c11-8(12,9(13,14)10(15,16)17)7-19-6-4-2-1-3-5-18/h18H,1-7H2
InChIKey
YRKDAFCAUCOZTJ-UHFFFAOYSA-N
Compound name
6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

300.09604 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10332 162.1
[M+Na]+ 323.08526 168.8
[M-H]- 299.08876 151.7
[M+NH4]+ 318.12986 176.3
[M+K]+ 339.05920 165.9
[M+H-H2O]+ 283.09330 151.9
[M+HCOO]- 345.09424 171.3
[M+CH3COO]- 359.10989 201.1
[M+Na-2H]- 321.07071 164.8
[M]+ 300.09549 154.8
[M]- 300.09659 154.8
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