CID 131853889

4,4,5,5,6,6,6-heptafluoro-3-methylhexan-3-ol

Structural Information

Molecular Formula
C7H9F7O
SMILES
CCC(C)(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7H9F7O/c1-3-4(2,15)5(8,9)6(10,11)7(12,13)14/h15H,3H2,1-2H3
InChIKey
RZSGRGYAFDNPBL-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluoro-3-methylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

242.05417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06145 144.0
[M+Na]+ 265.04339 152.4
[M-H]- 241.04689 134.7
[M+NH4]+ 260.08799 160.6
[M+K]+ 281.01733 150.4
[M+H-H2O]+ 225.05143 135.4
[M+HCOO]- 287.05237 152.5
[M+CH3COO]- 301.06802 191.1
[M+Na-2H]- 263.02884 149.2
[M]+ 242.05362 133.4
[M]- 242.05472 133.4
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

patents stripe