CID 13928023

Methyl 2-(trifluoromethyl)oxirane-2-carboxylate

Structural Information

Molecular Formula

C₅H₅F₃O₃

SMILES

COC(=O)C1(CO1)C(F)(F)F

InChI

InChI=1S/C5H5F3O3/c1-10-3(9)4(2-11-4)5(6,7)8/h2H2,1H3

InChIKey

CXHURGRQKSLHKC-UHFFFAOYSA-N

Compound name

methyl 2-(trifluoromethyl)oxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 170.01907 Da
Monoisotopic Mass: 0.7
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]+	171.026346	125.3
[M+Na]+	193.008288	136.0
[M-H]-	169.011794	127.6
[M+NH4]+	188.052893	141.6
[M+K]+	208.982228	136.9
[M+H-H2O]+	153.016330	118.7
[M+HCOO]-	215.017271	143.7
[M+CH3COO]-	229.032921	178.8
[M+Na-2H]-	190.993736	133.7
[M]+	170.01852142	127.3
[M]-	170.01961858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe