CID 10375114

Ethyl 2-(trifluoromethyl)butanoate

Structural Information

Molecular Formula
C7H11F3O2
SMILES
CCC(C(=O)OCC)C(F)(F)F
InChI
InChI=1S/C7H11F3O2/c1-3-5(7(8,9)10)6(11)12-4-2/h5H,3-4H2,1-2H3
InChIKey
PZBFWLHXZOLQTQ-UHFFFAOYSA-N
Compound name
ethyl 2-(trifluoromethyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.07112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.078396 135.6
[M+Na]+ 207.060338 142.9
[M-H]- 183.063844 132.1
[M+NH4]+ 202.104943 155.5
[M+K]+ 223.034278 142.9
[M+H-H2O]+ 167.068380 128.8
[M+HCOO]- 229.069321 153.1
[M+CH3COO]- 243.084971 182.2
[M+Na-2H]- 205.045786 138.6
[M]+ 184.07057142 133.7
[M]- 184.07166858 133.7
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