CID 17761042

156783-95-8

Structural Information

Molecular Formula

C₄H₅F₃O₃

SMILES

COC(=O)OCC(F)(F)F

InChI

InChI=1S/C4H5F3O3/c1-9-3(8)10-2-4(5,6)7/h2H2,1H3

InChIKey

GBPVMEKUJUKTBA-UHFFFAOYSA-N

Compound name

methyl 2,2,2-trifluoroethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4545
Patents: 158.01907 Da
Monoisotopic Mass: 1.6
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]+	159.026346	124.5
[M+Na]+	181.008288	133.3
[M-H]-	157.011794	121.4
[M+NH4]+	176.052893	145.5
[M+K]+	196.982228	134.1
[M+H-H2O]+	141.016330	118.0
[M+HCOO]-	203.017271	144.2
[M+CH3COO]-	217.032921	173.6
[M+Na-2H]-	178.993736	130.5
[M]+	158.01852142	123.6
[M]-	158.01961858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe