CID 73936

1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol

Structural Information

Molecular Formula
C4H4F6O
SMILES
CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3
InChIKey
FQDXJYBXPOMIBX-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

3207
Patents

182.01663 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.023906 127.9
[M+Na]+ 205.005848 137.2
[M-H]- 181.009354 120.0
[M+NH4]+ 200.050453 147.1
[M+K]+ 220.979788 135.8
[M+H-H2O]+ 165.013890 120.2
[M+HCOO]- 227.014831 140.0
[M+CH3COO]- 241.030481 177.8
[M+Na-2H]- 202.991296 134.2
[M]+ 182.01608142 118.2
[M]- 182.01717858 118.2
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