CID 540479

3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-ol

Structural Information

Molecular Formula
C6H7F7O
SMILES
CC(C)(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6H7F7O/c1-3(2,14)4(7,8)5(9,10)6(11,12)13/h14H,1-2H3
InChIKey
CZPWXOSMOFCBOR-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

228.03851 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04579 139.2
[M+Na]+ 251.02773 148.0
[M-H]- 227.03123 130.1
[M+NH4]+ 246.07233 156.4
[M+K]+ 267.00167 146.3
[M+H-H2O]+ 211.03577 130.8
[M+HCOO]- 273.03671 148.0
[M+CH3COO]- 287.05236 188.1
[M+Na-2H]- 249.01318 145.0
[M]+ 228.03796 128.3
[M]- 228.03906 128.3
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