CID 2777653

17452-18-5

Structural Information

Molecular Formula

C₁₀H₇F₃N₂S

SMILES

C1=CC(=CC=C1C(F)(F)F)N2C=CNC2=S

InChI

InChI=1S/C10H7F3N2S/c11-10(12,13)7-1-3-8(4-2-7)15-6-5-14-9(15)16/h1-6H,(H,14,16)

InChIKey

GEUKXLKPQGIDDE-UHFFFAOYSA-N

Compound name

3-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 244.0282 Da
Monoisotopic Mass: 2.4
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]+	245.03548	146.3
[M+Na]+	267.01742	157.6
[M-H]-	243.02092	146.3
[M+NH4]+	262.06202	163.2
[M+K]+	282.99136	151.4
[M+H-H2O]+	227.02546	137.2
[M+HCOO]-	289.02640	159.2
[M+CH3COO]-	303.04205	185.8
[M+Na-2H]-	265.00287	147.6
[M]+	244.02765	142.7
[M]-	244.02875	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe