CID 199390

3,5-bis(4-chlorophenyl)-1,2,4-thiadiazole

Structural Information

Molecular Formula
C14H8Cl2N2S
SMILES
C1=CC(=CC=C1C2=NSC(=N2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2S/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H
InChIKey
SQUYZYUNOGVBCT-UHFFFAOYSA-N
Compound name
3,5-bis(4-chlorophenyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

305.97852 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98580 166.1
[M+Na]+ 328.96774 184.4
[M+NH4]+ 324.01234 176.5
[M+K]+ 344.94168 173.7
[M-H]- 304.97124 172.5
[M+Na-2H]- 326.95319 177.1
[M]+ 305.97797 171.9
[M]- 305.97907 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe