CID 79567735

4,4,4-trifluoro-1-methoxybutan-2-ol

Structural Information

Molecular Formula
C5H9F3O2
SMILES
COCC(CC(F)(F)F)O
InChI
InChI=1S/C5H9F3O2/c1-10-3-4(9)2-5(6,7)8/h4,9H,2-3H2,1H3
InChIKey
ZGJYMALXXDKIQN-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-1-methoxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05547 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06275 136.2
[M+Na]+ 181.04469 142.6
[M+NH4]+ 176.08929 140.9
[M+K]+ 197.01863 139.2
[M-H]- 157.04819 130.0
[M+Na-2H]- 179.03014 136.9
[M]+ 158.05492 134.9
[M]- 158.05602 134.9
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

No patent data available for this compound.