CID 533990

2,2,3,4,4,4-hexafluorobutan-1-ol

Structural Information

Molecular Formula
C4H4F6O
SMILES
C(C(C(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2
InChIKey
LVFXLZRISXUAIL-UHFFFAOYSA-N
Compound name
2,2,3,4,4,4-hexafluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1180
Patents

182.01663 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.023906 127.9
[M+Na]+ 205.005848 136.4
[M-H]- 181.009354 119.6
[M+NH4]+ 200.050453 146.9
[M+K]+ 220.979788 135.0
[M+H-H2O]+ 165.013890 119.6
[M+HCOO]- 227.014831 140.5
[M+CH3COO]- 241.030481 178.6
[M+Na-2H]- 202.991296 132.1
[M]+ 182.01608142 118.3
[M]- 182.01717858 118.3
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