CID 5062481

27603-25-4

Structural Information

Molecular Formula

C₄H₃F₃N₂O₂S₂

SMILES

CS(=O)(=O)C1=NN=C(S1)C(F)(F)F

InChI

InChI=1S/C4H3F3N2O2S2/c1-13(10,11)3-9-8-2(12-3)4(5,6)7/h1H3

InChIKey

SQLPTSMJAQPVKR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 137
Patents: 231.9588 Da
Monoisotopic Mass: 0.9
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]+	232.96608	152.0
[M+Na]+	254.94802	158.3
[M+NH4]+	249.99262	156.3
[M+K]+	270.92196	153.7
[M-H]-	230.95152	146.2
[M+Na-2H]-	252.93347	152.4
[M]+	231.95825	151.7
[M]-	231.95935	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe