CID 135454016

Mls002694827

Structural Information

Molecular Formula

C₅HF₇N₂O₂

SMILES

C1(=NOC(=O)N1)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C5HF7N2O2/c6-3(7,1-13-2(15)16-14-1)4(8,9)5(10,11)12/h(H,13,14,15)

InChIKey

MZLYKMPRNWAFSI-UHFFFAOYSA-N

Compound name

3-(1,1,2,2,3,3,3-heptafluoropropyl)-4H-1,2,4-oxadiazol-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 0
Patents: 253.99263 Da
Monoisotopic Mass: 2.2
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]+	254.99991	139.6
[M+Na]+	276.98185	150.7
[M-H]-	252.98535	132.0
[M+NH4]+	272.02645	153.5
[M+K]+	292.95579	148.6
[M+H-H2O]+	236.98989	128.8
[M+HCOO]-	298.99083	149.4
[M+CH3COO]-	313.00648	187.3
[M+Na-2H]-	274.96730	145.8
[M]+	253.99208	130.3
[M]-	253.99318	130.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.