CID 339669

1,1,1-trifluoro-4,4-dimethoxy-2-methylbutan-2-ol

Structural Information

Molecular Formula
C7H13F3O3
SMILES
CC(CC(OC)OC)(C(F)(F)F)O
InChI
InChI=1S/C7H13F3O3/c1-6(11,7(8,9)10)4-5(12-2)13-3/h5,11H,4H2,1-3H3
InChIKey
RKHCLVUVSJETRU-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4,4-dimethoxy-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08168 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.088956 139.9
[M+Na]+ 225.070898 147.1
[M-H]- 201.074404 135.1
[M+NH4]+ 220.115503 158.5
[M+K]+ 241.044838 147.2
[M+H-H2O]+ 185.078940 133.7
[M+HCOO]- 247.079881 155.4
[M+CH3COO]- 261.095531 182.7
[M+Na-2H]- 223.056346 144.7
[M]+ 202.08113142 138.5
[M]- 202.08222858 138.5
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.