CID 71310862

Ethyl 2,3,3-trifluorobutanoate

Structural Information

Molecular Formula
C6H9F3O2
SMILES
CCOC(=O)C(C(C)(F)F)F
InChI
InChI=1S/C6H9F3O2/c1-3-11-5(10)4(7)6(2,8)9/h4H,3H2,1-2H3
InChIKey
LQRLDUUHECJDES-UHFFFAOYSA-N
Compound name
ethyl 2,3,3-trifluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05547 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.062746 130.6
[M+Na]+ 193.044688 138.3
[M-H]- 169.048194 127.2
[M+NH4]+ 188.089293 151.0
[M+K]+ 209.018628 138.5
[M+H-H2O]+ 153.052730 124.0
[M+HCOO]- 215.053671 148.4
[M+CH3COO]- 229.069321 179.9
[M+Na-2H]- 191.030136 134.2
[M]+ 170.05492142 128.4
[M]- 170.05601858 128.4
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.