CID 20776568

1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol

Structural Information

Molecular Formula
C5H9F3O2
SMILES
CC(COC)(C(F)(F)F)O
InChI
InChI=1S/C5H9F3O2/c1-4(9,3-10-2)5(6,7)8/h9H,3H2,1-2H3
InChIKey
NGQTWZJGHHRILI-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.05547 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06275 128.1
[M+Na]+ 181.04469 136.3
[M-H]- 157.04819 123.6
[M+NH4]+ 176.08929 148.5
[M+K]+ 197.01863 135.9
[M+H-H2O]+ 141.05273 122.3
[M+HCOO]- 203.05367 144.9
[M+CH3COO]- 217.06932 173.9
[M+Na-2H]- 179.03014 134.9
[M]+ 158.05492 125.0
[M]- 158.05602 125.0
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

patents stripe