CID 44717703

2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol

Structural Information

Molecular Formula
C5H3F9O
SMILES
C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,4(9,10)11)5(12,13)14/h15H,1H2
InChIKey
FJFBVHSVQZDLKQ-UHFFFAOYSA-N
Compound name
2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

250.00401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.011286 141.2
[M+Na]+ 272.993228 150.5
[M-H]- 248.996734 129.7
[M+NH4]+ 268.037833 157.1
[M+K]+ 288.967168 148.1
[M+H-H2O]+ 233.001270 131.0
[M+HCOO]- 295.002211 148.1
[M+CH3COO]- 309.017861 190.6
[M+Na-2H]- 270.978676 146.0
[M]+ 250.00346142 126.8
[M]- 250.00455858 126.8
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