CID 723666

299936-22-4

Structural Information

Molecular Formula

C₉H₈FN₃S₂

SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)N)F

InChI

InChI=1S/C9H8FN3S2/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)

InChIKey

OPAKWVMMTCNRJQ-UHFFFAOYSA-N

Compound name

5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 23
Patents: 241.01437 Da
Monoisotopic Mass: 2.5
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]+	242.02165	145.6
[M+Na]+	264.00359	156.9
[M+NH4]+	259.04819	154.0
[M+K]+	279.97753	148.5
[M-H]-	240.00709	148.1
[M+Na-2H]-	261.98904	151.8
[M]+	241.01382	148.7
[M]-	241.01492	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe