CID 53485768

Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate

Structural Information

Molecular Formula
C6H9F3O2
SMILES
CC(C)(C(=O)OC)C(F)(F)F
InChI
InChI=1S/C6H9F3O2/c1-5(2,4(10)11-3)6(7,8)9/h1-3H3
InChIKey
ZVXAFVCHEIPHDR-UHFFFAOYSA-N
Compound name
methyl 3,3,3-trifluoro-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

170.05547 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06275 141.2
[M+Na]+ 193.04469 147.7
[M+NH4]+ 188.08929 145.6
[M+K]+ 209.01863 144.7
[M-H]- 169.04819 134.7
[M+Na-2H]- 191.03014 141.9
[M]+ 170.05492 139.9
[M]- 170.05602 139.9
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

patents stripe