CID 2763168

1535-91-7

Structural Information

Molecular Formula

C₅H₇F₃O₂

SMILES

C1C(O1)COCC(F)(F)F

InChI

InChI=1S/C5H7F3O2/c6-5(7,8)3-9-1-4-2-10-4/h4H,1-3H2

InChIKey

BOORGFXBMIIZHP-UHFFFAOYSA-N

Compound name

2-(2,2,2-trifluoroethoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 156.03981 Da
Monoisotopic Mass: 0.9
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]+	157.04709	123.2
[M+Na]+	179.02903	133.2
[M-H]-	155.03253	125.0
[M+NH4]+	174.07363	138.2
[M+K]+	195.00297	133.0
[M+H-H2O]+	139.03707	115.1
[M+HCOO]-	201.03801	142.6
[M+CH3COO]-	215.05366	178.0
[M+Na-2H]-	177.01448	131.6
[M]+	156.03926	124.7
[M]-	156.04036	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe