CID 14996286

Ethyl 1-(trifluoromethyl)cyclopropanecarboxylate

Structural Information

Molecular Formula

C₇H₉F₃O₂

SMILES

CCOC(=O)C1(CC1)C(F)(F)F

InChI

InChI=1S/C7H9F3O2/c1-2-12-5(11)6(3-4-6)7(8,9)10/h2-4H2,1H3

InChIKey

XKNRIQDQYMPZKZ-UHFFFAOYSA-N

Compound name

ethyl 1-(trifluoromethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 182.05547 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.062746	131.2
[M+Na]+	205.044688	141.0
[M-H]-	181.048194	132.4
[M+NH4]+	200.089293	148.2
[M+K]+	221.018628	140.0
[M+H-H2O]+	165.052730	124.5
[M+HCOO]-	227.053671	149.7
[M+CH3COO]-	241.069321	182.7
[M+Na-2H]-	203.030136	137.4
[M]+	182.05492142	131.8
[M]-	182.05601858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe