CID 67845

Allyl trifluoroacetate

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

C=CCOC(=O)C(F)(F)F

InChI

InChI=1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2

InChIKey

XIVPVSIDXBTZLM-UHFFFAOYSA-N

Compound name

prop-2-enyl 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 907
Patents: 154.02417 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]+	155.03145	124.5
[M+Na]+	177.01339	133.2
[M-H]-	153.01689	121.3
[M+NH4]+	172.05799	145.6
[M+K]+	192.98733	132.6
[M+H-H2O]+	137.02143	118.2
[M+HCOO]-	199.02237	143.9
[M+CH3COO]-	213.03802	174.3
[M+Na-2H]-	174.99884	130.0
[M]+	154.02362	121.9
[M]-	154.02472	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe