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

5
Patents

228.03851 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.045786 139.2
[M+Na]+ 251.027728 148.0
[M-H]- 227.031234 130.1
[M+NH4]+ 246.072333 156.4
[M+K]+ 267.001668 146.3
[M+H-H2O]+ 211.035770 130.8
[M+HCOO]- 273.036711 148.0
[M+CH3COO]- 287.052361 188.1
[M+Na-2H]- 249.013176 145.0
[M]+ 228.03796142 128.3
[M]- 228.03905858 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