CID 3547310

3,3,3-trifluoropropylene carbonate

Structural Information

Molecular Formula

C₄H₃F₃O₃

SMILES

C1C(OC(=O)O1)C(F)(F)F

InChI

InChI=1S/C4H3F3O3/c5-4(6,7)2-1-9-3(8)10-2/h2H,1H2

InChIKey

GKZFQPGIDVGTLZ-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)-1,3-dioxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9584
Patents: 156.00343 Da
Monoisotopic Mass: 0.3
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]+	157.01071	121.3
[M+Na]+	178.99265	130.5
[M-H]-	154.99615	122.6
[M+NH4]+	174.03725	141.4
[M+K]+	194.96659	132.3
[M+H-H2O]+	139.00069	115.2
[M+HCOO]-	201.00163	139.6
[M+CH3COO]-	215.01728	171.4
[M+Na-2H]-	176.97810	128.5
[M]+	156.00288	118.2
[M]-	156.00398	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe