CID 2777651

17452-08-3

Structural Information

Molecular Formula

C₁₀H₇F₃N₂S

SMILES

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

InChI

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

InChIKey

FQMZFHKIYYCCAX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	153.2
[M+Na]+	267.01742	162.9
[M+NH4]+	262.06202	158.8
[M+K]+	282.99136	157.1
[M-H]-	243.02092	150.8
[M+Na-2H]-	265.00287	157.8
[M]+	244.02765	154.0
[M]-	244.02875	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe