CID 198531

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

Structural Information

Molecular Formula
C14H8Cl2N2S
SMILES
C1=CC=C(C(=C1)C2=NSC(=N2)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C14H8Cl2N2S/c15-11-7-3-1-5-9(11)13-17-14(19-18-13)10-6-2-4-8-12(10)16/h1-8H
InChIKey
YZJMJRZUCJHBTC-UHFFFAOYSA-N
Compound name
3,5-bis(2-chlorophenyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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 164.0
[M+Na]+ 328.96774 176.4
[M-H]- 304.97124 171.5
[M+NH4]+ 324.01234 180.2
[M+K]+ 344.94168 168.6
[M+H-H2O]+ 288.97578 156.4
[M+HCOO]- 350.97672 173.1
[M+CH3COO]- 364.99237 176.3
[M+Na-2H]- 326.95319 164.9
[M]+ 305.97797 168.8
[M]- 305.97907 168.8
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