CID 23468447

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

Structural Information

Molecular Formula
C8H6ClN3S
SMILES
C1=CC(=CC(=C1)Cl)C2=NSC(=N2)N
InChI
InChI=1S/C8H6ClN3S/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
InChIKey
HKUJGFWNXMTAPM-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.9971 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00438 140.8
[M+Na]+ 233.98632 155.0
[M+NH4]+ 229.03092 150.3
[M+K]+ 249.96026 147.4
[M-H]- 209.98982 144.8
[M+Na-2H]- 231.97177 149.1
[M]+ 210.99655 144.7
[M]- 210.99765 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe