CID 150572044

1-fluoroethyl propyl carbonate

Structural Information

Molecular Formula

C₆H₁₁FO₃

SMILES

CCCOC(=O)OC(C)F

InChI

InChI=1S/C6H11FO3/c1-3-4-9-6(8)10-5(2)7/h5H,3-4H2,1-2H3

InChIKey

IMAWBFBCQQDBIC-UHFFFAOYSA-N

Compound name

1-fluoroethyl propyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 150.06923 Da
Monoisotopic Mass: 2.3
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]+	151.07651	129.4
[M+Na]+	173.05845	136.7
[M-H]-	149.06195	128.6
[M+NH4]+	168.10305	150.8
[M+K]+	189.03239	137.8
[M+H-H2O]+	133.06649	124.0
[M+HCOO]-	195.06743	151.2
[M+CH3COO]-	209.08308	175.3
[M+Na-2H]-	171.04390	133.5
[M]+	150.06868	131.8
[M]-	150.06978	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe