CID 11030831

32539-16-5

Structural Information

Molecular Formula

C₄H₃F₃N₂S₂

SMILES

CSC1=NN=C(S1)C(F)(F)F

InChI

InChI=1S/C4H3F3N2S2/c1-10-3-9-8-2(11-3)4(5,6)7/h1H3

InChIKey

ULROOIOMHZXHRY-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 102
Patents: 199.96898 Da
Monoisotopic Mass: 2.1
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]+	200.97626	141.3
[M+Na]+	222.95820	148.9
[M+NH4]+	218.00280	147.5
[M+K]+	238.93214	142.7
[M-H]-	198.96170	137.6
[M+Na-2H]-	220.94365	143.1
[M]+	199.96843	141.9
[M]-	199.96953	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe