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]+ 203.08896 139.9
[M+Na]+ 225.07090 147.1
[M-H]- 201.07440 135.1
[M+NH4]+ 220.11550 158.5
[M+K]+ 241.04484 147.2
[M+H-H2O]+ 185.07894 133.7
[M+HCOO]- 247.07988 155.4
[M+CH3COO]- 261.09553 182.7
[M+Na-2H]- 223.05635 144.7
[M]+ 202.08113 138.5
[M]- 202.08223 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.