CID 126970925

1,1,1-trifluoro-3-methoxybutan-2-ol

Structural Information

Molecular Formula
C5H9F3O2
SMILES
CC(C(C(F)(F)F)O)OC
InChI
InChI=1S/C5H9F3O2/c1-3(10-2)4(9)5(6,7)8/h3-4,9H,1-2H3
InChIKey
CDJYXSLXQBWHJZ-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-methoxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05547 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06275 128.2
[M+Na]+ 181.04469 135.6
[M-H]- 157.04819 123.5
[M+NH4]+ 176.08929 148.4
[M+K]+ 197.01863 135.7
[M+H-H2O]+ 141.05273 121.9
[M+HCOO]- 203.05367 144.6
[M+CH3COO]- 217.06932 175.1
[M+Na-2H]- 179.03014 131.7
[M]+ 158.05492 124.4
[M]- 158.05602 124.4
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.