CID 10149314

90357-51-0

Structural Information

Molecular Formula

C₁₂H₉F₃N₂O₂

SMILES

CC1(CO1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2/c1-11(6-19-11)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4H,6H2,1H3,(H,17,18)

InChIKey

UQUQTWDUTIAAAY-UHFFFAOYSA-N

Compound name

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 183
Patents: 270.0616 Da
Monoisotopic Mass: 1.6
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]+	271.06888	164.3
[M+Na]+	293.05082	173.3
[M+NH4]+	288.09542	167.4
[M+K]+	309.02476	165.9
[M-H]-	269.05432	161.9
[M+Na-2H]-	291.03627	168.2
[M]+	270.06105	165.0
[M]-	270.06215	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe