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]+ 229.04579 140.4
[M+Na]+ 251.02773 148.9
[M-H]- 227.03123 130.8
[M+NH4]+ 246.07233 157.6
[M+K]+ 267.00167 146.6
[M+H-H2O]+ 211.03577 131.3
[M+HCOO]- 273.03671 150.7
[M+CH3COO]- 287.05236 186.8
[M+Na-2H]- 249.01318 145.0
[M]+ 228.03796 130.1
[M]- 228.03906 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