CID 3046671

62522-74-1

Structural Information

Molecular Formula

C₇H₁₁FO₄

SMILES

CC(=O)OCC(CF)OC(=O)C

InChI

InChI=1S/C7H11FO4/c1-5(9)11-4-7(3-8)12-6(2)10/h7H,3-4H2,1-2H3

InChIKey

XRWIXJZTLMBJOE-UHFFFAOYSA-N

Compound name

(2-acetyloxy-3-fluoropropyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 178.06413 Da
Monoisotopic Mass: 0.7
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]+	179.07141	135.2
[M+Na]+	201.05335	142.1
[M-H]-	177.05685	134.2
[M+NH4]+	196.09795	155.2
[M+K]+	217.02729	143.3
[M+H-H2O]+	161.06139	129.5
[M+HCOO]-	223.06233	156.1
[M+CH3COO]-	237.07798	180.3
[M+Na-2H]-	199.03880	137.6
[M]+	178.06358	138.0
[M]-	178.06468	138.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.