CID 2737479

175137-20-9

Structural Information

Molecular Formula

C₁₀H₉FN₂S

SMILES

CSC1=NNC(=C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H9FN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)

InChIKey

ZDFTZMJWTJLPRE-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 30
Patents: 208.04704 Da
Monoisotopic Mass: 2.8
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]+	209.05432	143.2
[M+Na]+	231.03626	156.1
[M+NH4]+	226.08086	151.6
[M+K]+	247.01020	148.8
[M-H]-	207.03976	145.0
[M+Na-2H]-	229.02171	150.2
[M]+	208.04649	145.9
[M]-	208.04759	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe