CID 3066606

110623-32-0

Structural Information

Molecular Formula

C₁₀H₁₀FN₃S

SMILES

CN1C(=NN(C1=S)C)C2=CC=CC=C2F

InChI

InChI=1S/C10H10FN3S/c1-13-9(12-14(2)10(13)15)7-5-3-4-6-8(7)11/h3-6H,1-2H3

InChIKey

QEOILUJKOHDIFN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 223.05795 Da
Monoisotopic Mass: 1.9
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]+	224.06523	148.8
[M+Na]+	246.04717	162.8
[M+NH4]+	241.09177	156.5
[M+K]+	262.02111	155.6
[M-H]-	222.05067	150.2
[M+Na-2H]-	244.03262	155.2
[M]+	223.05740	151.6
[M]-	223.05850	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe