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: 4943
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]+	159.02635	134.7
[M+Na]+	181.00829	141.4
[M+NH4]+	176.05289	139.1
[M+K]+	196.98223	138.3
[M-H]-	157.01179	128.3
[M+Na-2H]-	178.99374	135.6
[M]+	158.01852	133.3
[M]-	158.01962	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe