CID 53437011

2,2,3,3-tetrafluorobutyl carbonate

Structural Information

Molecular Formula

C₅H₆F₄O₃

SMILES

CC(C(COC(=O)O)(F)F)(F)F

InChI

InChI=1S/C5H6F4O3/c1-4(6,7)5(8,9)2-12-3(10)11/h2H2,1H3,(H,10,11)

InChIKey

JQRHMMZYONHHPQ-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluorobutyl hydrogen carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.0253 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]+	191.03258	146.7
[M+Na]+	213.01452	151.3
[M+NH4]+	208.05912	149.4
[M+K]+	228.98846	149.2
[M-H]-	189.01802	138.2
[M+Na-2H]-	210.99997	145.9
[M]+	190.02475	144.4
[M]-	190.02585	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe