CID 2777478

175277-94-8

Structural Information

Molecular Formula

C₁₀H₇F₃N₂S₃

SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSC2=NNC(=S)S2

InChI

InChI=1S/C10H7F3N2S3/c11-10(12,13)7-3-1-2-6(4-7)5-17-9-15-14-8(16)18-9/h1-4H,5H2,(H,14,16)

InChIKey

GYRMUGAZBJIPHZ-UHFFFAOYSA-N

Compound name

5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 307.97235 Da
Monoisotopic Mass: 4.2
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]+	308.97963	162.1
[M+Na]+	330.96157	170.2
[M+NH4]+	326.00617	167.9
[M+K]+	346.93551	161.5
[M-H]-	306.96507	160.3
[M+Na-2H]-	328.94702	164.6
[M]+	307.97180	163.7
[M]-	307.97290	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe