CID 351887

72836-33-0

Structural Information

Molecular Formula

C₉H₈ClN₃S₂

SMILES

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

InChI

InChI=1S/C9H8ClN3S2/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)

InChIKey

SPABJFQNGHSGMG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 31
Patents: 256.9848 Da
Monoisotopic Mass: 3.0
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]+	257.99208	150.9
[M+Na]+	279.97402	164.1
[M+NH4]+	275.01862	160.4
[M+K]+	295.94796	154.5
[M-H]-	255.97752	155.1
[M+Na-2H]-	277.95947	157.8
[M]+	256.98425	155.2
[M]-	256.98535	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe