CID 542739

29819-73-6

Structural Information

Molecular Formula
C6H7F7O
SMILES
C(CC(C(F)(F)F)(C(F)(F)F)F)CO
InChI
InChI=1S/C6H7F7O/c7-4(2-1-3-14,5(8,9)10)6(11,12)13/h14H,1-3H2
InChIKey
NMPABPRKIBGSGW-UHFFFAOYSA-N
Compound name
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

228.03851 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.045786 140.4
[M+Na]+ 251.027728 148.9
[M-H]- 227.031234 130.8
[M+NH4]+ 246.072333 157.6
[M+K]+ 267.001668 146.6
[M+H-H2O]+ 211.035770 131.3
[M+HCOO]- 273.036711 150.7
[M+CH3COO]- 287.052361 186.8
[M+Na-2H]- 249.013176 145.0
[M]+ 228.03796142 130.1
[M]- 228.03905858 130.1
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