CID 16924

Perfluoro-tert-butanol

Structural Information

Molecular Formula
C4HF9O
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H
InChIKey
XZNOAVNRSFURIR-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

2492
Patents

235.98837 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99565 136.6
[M+Na]+ 258.97759 146.3
[M-H]- 234.98109 125.3
[M+NH4]+ 254.02219 153.2
[M+K]+ 274.95153 144.2
[M+H-H2O]+ 218.98563 126.6
[M+HCOO]- 280.98657 143.9
[M+CH3COO]- 295.00222 187.0
[M+Na-2H]- 256.96304 141.9
[M]+ 235.98782 121.8
[M]- 235.98892 121.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe