CID 3066608

110623-35-3

Structural Information

Molecular Formula

C₁₀H₉F₂N₃S

SMILES

CN1C(=NN(C1=S)C)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C10H9F2N3S/c1-14-9(13-15(2)10(14)16)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3

InChIKey

COGYAOKOKXLWSZ-UHFFFAOYSA-N

Compound name

5-(2,4-difluorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 241.04852 Da
Monoisotopic Mass: 2.0
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]+	242.05580	153.9
[M+Na]+	264.03774	166.7
[M+NH4]+	259.08234	160.4
[M+K]+	280.01168	159.9
[M-H]-	240.04124	153.6
[M+Na-2H]-	262.02319	158.9
[M]+	241.04797	155.9
[M]-	241.04907	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe