CID 3054079

70842-06-7

Structural Information

Molecular Formula

C₁₂H₁₁F₃N₂O₂

SMILES

CC1(C(=O)N(C(=O)N1)C2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C12H11F3N2O2/c1-11(2)9(18)17(10(19)16-11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H,16,19)

InChIKey

SOXPYSRBYPLMQF-UHFFFAOYSA-N

Compound name

5,5-dimethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 272.07727 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]+	273.084546	155.5
[M+Na]+	295.066488	166.2
[M-H]-	271.069994	155.3
[M+NH4]+	290.111093	172.6
[M+K]+	311.040428	161.5
[M+H-H2O]+	255.074530	146.9
[M+HCOO]-	317.075471	170.3
[M+CH3COO]-	331.091121	193.9
[M+Na-2H]-	293.051936	157.3
[M]+	272.07672142	150.4
[M]-	272.07781858	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe